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ktym/test.json

Created August 12, 2025 08:17
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test.json
[
{
"molno": 1,
"molname": "PROTEIN (CONCANAVALIN A)",
"molclass": "SUGAR BINDING PROTEIN",
"moltype": "",
"pdbid": "1C57",
"resolution": 2.4,
"a": 89.11,
"b": 87.58,
"c": 63.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "I 2 2 2",
"z": 8,
"ex_method": "NEUTRON",
"authors": "J.HABASH,J.RAFTERY,R.NUTTALL,H.J.PRICE,M.S.LEHMANN,C.WILKINSON,A.J.KALB(GILBOA),J.R.HELLIWELL",
"deposited": "1999-10-26",
"released": "2000-05-08",
"acc_code": "217d49",
"registered": "2012-07-27 13:37:21.521277",
"no_hydrogen": null,
"hbonds": 1097,
"hbonds_sym": 104,
"atoms": 4010,
"hydrogens": 2051,
"waters": 148
},
{
"molno": 2,
"molname": "MYOGLOBIN",
"molclass": "OXYGEN STORAGE/TRANSPORT",
"moltype": "",
"pdbid": "1CQ2",
"resolution": 2.0,
"a": 64.53,
"b": 30.91,
"c": 34.78,
"alpha": 90.0,
"beta": 105.82,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "F.SHU,V.RAMAKRISHNAN,B.P.SCHOENBORN",
"deposited": "1999-08-04",
"released": "1999-08-16",
"acc_code": "f2a96e",
"registered": "2012-07-27 13:38:45.54662",
"no_hydrogen": null,
"hbonds": 630,
"hbonds_sym": 54,
"atoms": 2744,
"hydrogens": 1415,
"waters": 69
},
{
"molno": 3,
"molname": "ENDOTHIAPEPSIN",
"molclass": "HYDROLASE/HYDROLASE INHIBITOR",
"moltype": "",
"pdbid": "1GKT",
"resolution": 2.1,
"a": 43.1,
"b": 75.7,
"c": 42.9,
"alpha": 90.0,
"beta": 97.0,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "L.COATES,P.T.ERSKINE,S.P.WOOD,D.A.A.MYLES,J.B.COOPER",
"deposited": "2001-08-20",
"released": "2001-11-20",
"acc_code": "a4746f",
"registered": "2012-07-27 13:39:39.915072",
"no_hydrogen": null,
"hbonds": 1306,
"hbonds_sym": 34,
"atoms": 5169,
"hydrogens": 2447,
"waters": 255
},
{
"molno": 4,
"molname": "LYSOZYME C",
"molclass": "HYDROLASE",
"moltype": "",
"pdbid": "1IO5",
"resolution": 2.0,
"a": 80.8,
"b": 80.8,
"c": 37.1,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 43 21 2",
"z": 8,
"ex_method": "NEUTRON",
"authors": "N.NIIMURA,Y.MINEZAKI,T.NONAKA,J.C.CASTAGNA,F.CIPRIANI,P.HOEGHOEJ,M.S.LEHMANN,C.WILKINSON",
"deposited": "2001-01-14",
"released": "2001-02-07",
"acc_code": "a60f0a",
"registered": "2012-07-27 13:41:14.711832",
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"hbonds": 948,
"hbonds_sym": 75,
"atoms": 2714,
"hydrogens": 1462,
"waters": 251
},
{
"molno": 5,
"molname": "RUBREDOXIN",
"molclass": "ELECTRON TRANSPORT",
"moltype": "",
"pdbid": "1IU6",
"resolution": 1.6,
"a": 34.48,
"b": 35.7,
"c": 43.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 21 21 21",
"z": 4,
"ex_method": "NEUTRON",
"authors": "T.CHATAKE,K.KURIHARA,I.TANAKA,I.TSYBA,R.BAU,F.E.JENNEY,M.W.W.ADAMS,N.NIIMURA",
"deposited": "2002-02-27",
"released": "2002-08-27",
"acc_code": "8b742e",
"registered": "2012-07-27 13:42:21.398805",
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"hbonds_sym": 7,
"atoms": 847,
"hydrogens": 424,
"waters": 31
},
{
"molno": 6,
"molname": "MYOGLOBIN",
"molclass": "OXYGEN STORAGE/TRANSPORT",
"moltype": "",
"pdbid": "1L2K",
"resolution": 1.5,
"a": 64.53,
"b": 30.87,
"c": 34.87,
"alpha": 90.0,
"beta": 105.7,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "A.OSTERMANN,I.TANAKA,N.ENGLER,N.NIIMURA,F.G.PARAK",
"deposited": "2002-02-21",
"released": "2002-08-21",
"acc_code": "96555e",
"registered": "2012-07-27 13:42:45.032701",
"no_hydrogen": null,
"hbonds": 852,
"hbonds_sym": 33,
"atoms": 2717,
"hydrogens": 1386,
"waters": 74
},
{
"molno": 7,
"molname": "PROTEIN (LYSOZYME)",
"molclass": "HYDROLASE",
"moltype": "",
"pdbid": "1LZN",
"resolution": 1.7,
"a": 27.28,
"b": 32.04,
"c": 34.27,
"alpha": 88.8,
"beta": 108.8,
"gamma": 111.6,
"space_group": "P 1",
"z": 1,
"ex_method": "NEUTRON",
"authors": "C.I.BON,M.S.LEHMANN,C.WILKINSON",
"deposited": "1999-03-23",
"released": "1999-04-01",
"acc_code": "c5c669",
"registered": "2012-07-27 13:43:41.499792",
"no_hydrogen": null,
"hbonds": 722,
"hbonds_sym": 174,
"atoms": 2457,
"hydrogens": 1192,
"waters": 243
},
{
"molno": 8,
"molname": "BETA-TRYPSIN",
"molclass": "HYDROLASE (SERINE PROTEINASE)",
"moltype": "",
"pdbid": "1NTP",
"resolution": 1.8,
"a": 54.84,
"b": 58.61,
"c": 67.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 21 21 21",
"z": 4,
"ex_method": "NEUTRON",
"authors": "A.A.KOSSIAKOFF",
"deposited": "1987-09-16",
"released": "1988-01-16",
"acc_code": "7fd9c2",
"registered": "2012-07-27 13:44:46.25253",
"no_hydrogen": null,
"hbonds": 694,
"hbonds_sym": 25,
"atoms": 3230,
"hydrogens": 1594,
"waters": 0
},
{
"molno": 9,
"molname": "5'-D(*CP*GP*CP*GP*CP*G)-3'",
"molclass": "DNA",
"moltype": "",
"pdbid": "1V9G",
"resolution": 1.8,
"a": 18.46,
"b": 30.76,
"c": 43.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 21 21 21",
"z": 8,
"ex_method": "NEUTRON",
"authors": "T.CHATAKE,I.TANAKA,N.NIIMURA",
"deposited": "2004-01-26",
"released": "2005-01-26",
"acc_code": "838b5b",
"registered": "2012-07-27 13:45:45.951077",
"no_hydrogen": null,
"hbonds": 116,
"hbonds_sym": 40,
"atoms": 531,
"hydrogens": 228,
"waters": 44
},
{
"molno": 10,
"molname": "RUBREDOXIN",
"molclass": "ELECTRON TRANSPORT",
"moltype": "",
"pdbid": "1VCX",
"resolution": 1.5,
"a": 34.32,
"b": 35.31,
"c": 44.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 21 21 21",
"z": 4,
"ex_method": "NEUTRON",
"authors": "K.KURIHARA,I.TANAKA,T.CHATAKE,M.W.W.ADAMS,F.E.JENNEY JR.,N.MOISEEVA,R.BAU,N.NIIMURA",
"deposited": "2004-03-17",
"released": "2004-08-10",
"acc_code": "d11dbb",
"registered": "2012-07-27 13:46:04.072579",
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"hbonds_sym": 5,
"atoms": 896,
"hydrogens": 445,
"waters": 37
},
{
"molno": 11,
"molname": "PROTEIN DSVD",
"molclass": "UNKNOWN FUNCTION",
"moltype": "",
"pdbid": "1WQ2",
"resolution": 2.4,
"a": 60.5,
"b": 65.1,
"c": 46.5,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "P 21 21 21",
"z": 8,
"ex_method": "NEUTRON",
"authors": "T.CHATAKE,N.MIZUNO,G.VOORDOUW,Y.HIGUCHI,S.ARAI,I.TANAKA,N.NIIMURA",
"deposited": "2004-09-19",
"released": "2005-09-19",
"acc_code": "e16d63",
"registered": "2012-07-27 13:46:28.257636",
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"hbonds": 642,
"hbonds_sym": 55,
"atoms": 2140,
"hydrogens": 1060,
"waters": 99
},
{
"molno": 12,
"molname": "5'-D(*CP*CP*AP*TP*TP*AP*AP*TP*GP*G)-3'",
"molclass": "DNA",
"moltype": "",
"pdbid": "1WQZ",
"resolution": 3.0,
"a": 32.9,
"b": 32.9,
"c": 96.1,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0,
"space_group": "P 32 2 1",
"z": 12,
"ex_method": "NEUTRON",
"authors": "S.ARAI,T.CHATAKE,T.OHHARA,K.KURIHARA,I.TANAKA,N.SUZUKI,Z.FUJIMOTO,H.MIZUNO,N.NIIMURA",
"deposited": "2004-10-07",
"released": "2005-06-21",
"acc_code": "0b40d6",
"registered": "2012-07-27 13:47:17.271208",
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"hbonds": 145,
"hbonds_sym": 9,
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"waters": 27
},
{
"molno": 13,
"molname": "CONCANAVALIN A",
"molclass": "SUGAR BINDING PROTEIN",
"moltype": "",
"pdbid": "1XQN",
"resolution": 2.5,
"a": 89.16,
"b": 86.129,
"c": 61.594,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "I 2 2 2",
"z": 8,
"ex_method": "NEUTRON",
"authors": "M.P.BLAKELEY,A.J.KALB-GILBOA,J.R.HELLIWELL,D.A.A.MYLES",
"deposited": "2004-10-13",
"released": "2004-11-02",
"acc_code": "f8f747",
"registered": "2012-07-27 13:47:35.906757",
"no_hydrogen": null,
"hbonds": 1035,
"hbonds_sym": 58,
"atoms": 4127,
"hydrogens": 2089,
"waters": 227
},
{
"molno": 14,
"molname": "HEMOGLOBIN SUBUNIT ALPHA",
"molclass": "OXYGEN STORAGE/TRANSPORT",
"moltype": "",
"pdbid": "2DXM",
"resolution": 2.1,
"a": 63.79,
"b": 84.45,
"c": 54.35,
"alpha": 90.0,
"beta": 99.33,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 4,
"ex_method": "NEUTRON",
"authors": "Y.MORIMOTO",
"deposited": "2006-08-28",
"released": "2007-12-04",
"acc_code": "9c32b5",
"registered": "2012-07-27 13:49:05.435356",
"no_hydrogen": null,
"hbonds": 3113,
"hbonds_sym": 40,
"atoms": 9868,
"hydrogens": 5111,
"waters": 201
},
{
"molno": 15,
"molname": "INSULIN",
"molclass": "HORMONE/GROWTH FACTOR",
"moltype": "",
"pdbid": "2EFA",
"resolution": 2.7,
"a": 79.035,
"b": 79.035,
"c": 79.035,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "I 21 3",
"z": 24,
"ex_method": "NEUTRON",
"authors": "T.ISHIKAWA,I.TANAKA,N.NIIMURA",
"deposited": "2007-02-22",
"released": "2008-01-22",
"acc_code": "9dd13d",
"registered": "2012-07-27 13:52:34.205739",
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},
{
"molno": 16,
"molname": "XYLOSE ISOMERASE",
"molclass": "ISOMERASE",
"moltype": "",
"pdbid": "2GVE",
"resolution": 2.2,
"a": 93.88,
"b": 99.68,
"c": 102.9,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "I 2 2 2",
"z": 8,
"ex_method": "NEUTRON",
"authors": "A.K.KATZ,X.LI,H.L.CARRELL,B.L.HANSON,P.LANGAN,L.COATES,B.P.SCHOENBORN,J.P.GLUSKER,G.J.BUNICK",
"deposited": "2006-05-02",
"released": "2006-05-16",
"acc_code": "72904f",
"registered": "2012-07-27 13:53:00.176644",
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"hbonds_sym": 253,
"atoms": 7768,
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"waters": 512
},
{
"molno": 17,
"molname": "DIHYDROFOLATE REDUCTASE",
"molclass": "OXIDOREDUCTASE",
"moltype": "",
"pdbid": "2INQ",
"resolution": 2.2,
"a": 93.12,
"b": 93.12,
"c": 73.87,
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"beta": 90.0,
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"space_group": "P 61",
"z": 12,
"ex_method": "NEUTRON",
"authors": "B.C.BENNETT,P.A.LANGAN,L.COATES,B.SCHOENBORN,C.G.DEALWIS",
"deposited": "2006-10-08",
"released": "2007-02-06",
"acc_code": "1189b1",
"registered": "2012-07-27 13:56:23.502537",
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"hbonds_sym": 36,
"atoms": 5476,
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"waters": 152
},
{
"molno": 18,
"molname": "MYOGLOBIN",
"molclass": "OXYGEN STORAGE",
"moltype": "",
"pdbid": "2MB5",
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"a": 64.61,
"b": 30.95,
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"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "B.P.SCHOENBORN,X.CHENG",
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"released": "1991-04-15",
"acc_code": "c26125",
"registered": "2012-07-27 13:58:22.787718",
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"hbonds": 686,
"hbonds_sym": 45,
"atoms": 2842,
"hydrogens": 1479,
"waters": 89
},
{
"molno": 19,
"molname": "ALDOSE REDUCTASE",
"molclass": "OXIDOREDUCTASE",
"moltype": null,
"pdbid": "2R24",
"resolution": 1.75,
"a": 50.066,
"b": 67.126,
"c": 47.862,
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"beta": 92.41,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "M.P.BLAKELEY,F.RUIZ,R.CACHAU,I.HAZEMANN,F.MEILLEUR,A.MITSCHLER,S.GINELL,P.AFONINE,O.N.VENTURA,A.COUSIDO-SIAH,M.HAERTLEIN,A.JOACHIMIAK,D.MYLES,A.PODJARNY",
"deposited": "2007-08-24",
"released": "2008-12-23",
"acc_code": "349649",
"registered": "2012-07-27 13:59:32.643229",
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"atoms": 5434,
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},
{
"molno": 20,
"molname": "ENDOTHIAPEPSIN",
"molclass": "HYDROLASE/HYDROLASE INHIBITOR",
"moltype": "",
"pdbid": "2VS2",
"resolution": 2.0,
"a": 43.03,
"b": 75.72,
"c": 42.97,
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"beta": 97.02,
"gamma": 90.0,
"space_group": "P 1 21 1",
"z": 2,
"ex_method": "NEUTRON",
"authors": "L.COATES,H.-F.TUAN,S.TOMANICEK,A.KOVALEVSKY,M.MUSTYAKIMOV,P.ERSKINE,J.COOPER",
"deposited": "2008-04-17",
"released": "2008-05-27",
"acc_code": "674e8c",
"registered": "2012-07-27 14:02:03.926418",
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},
{
"molno": 21,
"molname": "BETA-LACTAMSE TOHO-1",
"molclass": "HYDROLASE",
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"pdbid": "2WYX",
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"z": 6,
"ex_method": "NEUTRON",
"authors": "S.J.TOMANICEK,M.P.BLAKELEY,J.COOPER,Y.CHEN,P.AFONINE,L.COATES",
"deposited": "2009-11-20",
"released": "2010-01-12",
"acc_code": "761ce4",
"registered": "2012-07-27 14:04:43.905373",
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"hbonds_sym": 43,
"atoms": 4640,
"hydrogens": 2555,
"waters": 160
},
{
"molno": 22,
"molname": "BETA-LACTAMSE TOHO-1",
"molclass": "HYDROLASE",
"moltype": "",
"pdbid": "2XQZ",
"resolution": 2.1,
"a": 72.956,
"b": 72.956,
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"z": 6,
"ex_method": "NEUTRON",
"authors": "S.J.TOMANICEK,K.K.WANG,K.L.WEISS,M.P.BLAKELEY,J.COOPER,Y.CHEN,L.COATES",
"deposited": "2010-09-08",
"released": "2010-12-22",
"acc_code": "ed47fa",
"registered": "2012-07-27 14:06:55.065171",
"no_hydrogen": null,
"hbonds": 1083,
"hbonds_sym": 31,
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"waters": 205
},
{
"molno": 23,
"molname": "CONCANAVALIN A",
"molclass": "SUGAR BINDING PROTEIN",
"moltype": "",
"pdbid": "2YZ4",
"resolution": 2.2,
"a": 89.377,
"b": 87.314,
"c": 63.051,
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"gamma": 90.0,
"space_group": "I 2 2 2",
"z": 8,
"ex_method": "NEUTRON",
"authors": "H.U.AHMED,M.P.BLAKELEY,M.CIANCI,J.A.HUBBARD,J.R.HELLIWELL",
"deposited": "2007-05-02",
"released": "2008-02-05",
"acc_code": "bef216",
"registered": "2012-07-27 14:08:59.370274",
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"waters": 84
},
{
"molno": 24,
"molname": "PHOTOACTIVE YELLOW PROTEIN",
"molclass": "SIGNALING PROTEIN",
"moltype": "",
"pdbid": "2ZOI",
"resolution": 1.5,
"a": 67.145,
"b": 67.145,
"c": 41.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0,
"space_group": "P 63",
"z": 6,
"ex_method": "NEUTRON",
"authors": "S.YAMAGUCHI",
"deposited": "2008-05-21",
"released": "2009-03-24",
"acc_code": "4f0680",
"registered": "2012-07-27 14:10:40.150484",
"no_hydrogen": null,
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"hbonds_sym": 27,
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"waters": 73
},
{
"molno": 25,
"molname": "INSULIN A CHAIN",
"molclass": "HORMONE",
"moltype": "",
"pdbid": "2ZPP",
"resolution": 2.5,
"a": 79.04,
"b": 79.04,
"c": 79.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0,
"space_group": "I 21 3",
"z": 24,
"ex_method": "NEUTRON",
"authors": "T.ISHIKAWA,I.TANAKA,N.NIIMURA",
"deposited": "2008-07-26",
"released": "2008-10-28",
"acc_code": "8908c8",
"registered": "2012-07-27 14:11:44.648034",
"no_hydrogen": null,
"hbonds": 250,
"hbonds_sym": 20,
"atoms": 864,
"hydrogens": 427,
"waters": 34
},
{
"molno": 26,
"molname": "LYSOZYME C",
"molclass": "HYDROLASE",
"moltype": "",
"pdbid": "2ZWB",
"resolution": 1.8,
"a": 33.825,
"b": 56.883,
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