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4BGU

1.50 A resolution structure of the malate dehydrogenase from Haloferax volcanii

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0006099biological_processtricarboxylic acid cycle
A0016491molecular_functionoxidoreductase activity
A0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A0019752biological_processcarboxylic acid metabolic process
A0030060molecular_functionL-malate dehydrogenase (NAD+) activity
B0003824molecular_functioncatalytic activity
B0006099biological_processtricarboxylic acid cycle
B0016491molecular_functionoxidoreductase activity
B0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B0019752biological_processcarboxylic acid metabolic process
B0030060molecular_functionL-malate dehydrogenase (NAD+) activity
C0003824molecular_functioncatalytic activity
C0006099biological_processtricarboxylic acid cycle
C0016491molecular_functionoxidoreductase activity
C0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C0019752biological_processcarboxylic acid metabolic process
C0030060molecular_functionL-malate dehydrogenase (NAD+) activity
D0003824molecular_functioncatalytic activity
D0006099biological_processtricarboxylic acid cycle
D0016491molecular_functionoxidoreductase activity
D0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D0019752biological_processcarboxylic acid metabolic process
D0030060molecular_functionL-malate dehydrogenase (NAD+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 1305
ChainResidue
AASP28
AHOH2042
AHOH2052
AHOH2108
CASP240
CHOH2358

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 1306
ChainResidue
AHOH2220
AHOH2224
AHOH2249
AASP101
ASER105
ATHR133

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE K A 1307
ChainResidue
AGLU109
A1PE1342

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE K A 1308
ChainResidue
APGE1341

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A 1309
ChainResidue
ASER185
AHOH2141
AHOH2216
AHOH2352
AHOH2364

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 1310
ChainResidue
ASER72
AGLY86
AASP113
AHOH2145
AHOH2146
AHOH2150

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE K A 1312
ChainResidue
AP331343
AHOH2514

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1313
ChainResidue
AHOH2290
AHOH2293
AHOH2387

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1314
ChainResidue
AVAL13
AHOH2084
AHOH2239

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1315
ChainResidue
AGLY191
AHOH2357
DTRP279
DHOH2269

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1316
ChainResidue
APRO36
ALYS37

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1317
ChainResidue
AASN121
APRO122
AVAL123
AHIS176
AHOH2189

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1318
ChainResidue
AARG89
ALYS295
AGLN299

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1319
ChainResidue
AARG89
AASN121

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1320
ChainResidue
AARG160
AGLU200
AHOH2306
AHOH2368

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1321
ChainResidue
AARG152
ATHR222
AHOH2333

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1322
ChainResidue
AASN192
APRO194
AHOH2355
AHOH2361

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1323
ChainResidue
AASP135
AARG136
AHOH2219
AHOH2232

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1324
ChainResidue
ATYR131
AARG138
AHOH2267

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1325
ChainResidue
AARG136
AASP137
AHOH2272

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1326
ChainResidue
AASN20
AARG24
AHOH2031
BHOH2083

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1328
ChainResidue
AGLN223
AHOH2024
BGLN223
BHOH2018

site_idCC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1329
ChainResidue
ALYS186
AASP280
AHOH2474
DASN192
DASP193

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 1330
ChainResidue
AGLY71
ATYR110
AASN111
A1PE1342
AHOH2179
AHOH2233

site_idCC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1338
ChainResidue
AGLN209
AHOH2392

site_idCC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1339
ChainResidue
A1PE1342
AHOH2222

site_idCC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TRS A 1340
ChainResidue
AHOH2508
AHOH2509
AHOH2510
AHOH2511
AHOH2283
AHOH2285
AHOH2287
AHOH2328
AHOH2329

site_idDC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PGE A 1341
ChainResidue
ATYR131
AGLU132
AARG136
AK1308
AHOH2253
AHOH2257
AHOH2262

site_idDC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 1PE A 1342
ChainResidue
AALA108
AGLU109
ATYR110
AASN111
AASP178
AK1307
ACL1330
ACL1339

site_idDC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE P33 A 1343
ChainResidue
APHE255
ATYR257
AASP290
AK1312
DASP282
DASP283
DHOH2391

site_idDC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE K B 1305
ChainResidue
BASP28
BHOH2035
BHOH2042
BHOH2044
BHOH2088
DASP240
DHOH2346

site_idDC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K B 1306
ChainResidue
BASP101
BSER105
BTHR133
BHOH2179
BHOH2208

site_idDC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE K B 1307
ChainResidue
BGLU109
B1PE1342

site_idDC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE K B 1308
ChainResidue
BPGE1341

site_idDC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1313
ChainResidue
BHOH2241
BHOH2242
BHOH2333

site_idDC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1314
ChainResidue
BVAL13
BHOH2077
BHOH2197
BHOH2352

site_idEC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1315
ChainResidue
BHOH2304
CHOH2282

site_idEC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1316
ChainResidue
BPRO36
BLYS37

site_idEC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1317
ChainResidue
BASN121
BPRO122
BVAL123
BHIS176
BHOH2151

site_idEC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1318
ChainResidue
BARG89
BLYS295
BGLN299

site_idEC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1319
ChainResidue
BARG89
BASN121

site_idEC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1320
ChainResidue
BARG160
BCL1332

site_idEC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1321
ChainResidue
BARG152
BTHR222
BHOH2236
BHOH2278

site_idEC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1322
ChainResidue
BASN192
BHOH2109

site_idEC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1323
ChainResidue
BASP135
BARG136
BHOH2176

site_idFC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1324
ChainResidue
BTYR131
BARG138
BHOH2223

site_idFC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1325
ChainResidue
BASP113
BARG136
BASP137
BHOH2194

site_idFC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1327
ChainResidue
BARG218
BHOH2347

site_idFC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1332
ChainResidue
BALA195
BPHE196
BCL1320
BHOH2122

site_idFC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1336
ChainResidue
BLYS3
BASP68
BHOH2007
BHOH2093
BHOH2106

site_idFC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1337
ChainResidue
AHOH2289
BGLN63
BHOH2075
BHOH2096

site_idFC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TRS B 1340
ChainResidue
BLYS166
BASP169
BHOH2237
BHOH2238
BHOH2239
BHOH2265
BHOH2266
BHOH2273
BHOH2441
BHOH2442
BHOH2443
BHOH2444

site_idFC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PGE B 1341
ChainResidue
BTYR131
BGLU132
BGLY134
BASP135
BARG136
BK1308
BHOH2221

site_idFC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 1PE B 1342
ChainResidue
BALA108
BGLU109
BTYR110
BK1307

site_idGC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE K C 1305
ChainResidue
AASP240
AHOH2418
AHOH2421
AHOH2422
CASP28
CHOH2042
CHOH2046

site_idGC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K C 1306
ChainResidue
CASP101
CSER105
CTHR133
CHOH2175
CHOH2215

site_idGC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE K C 1307
ChainResidue
CGLU109
CPG41342

site_idGC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE K C 1308
ChainResidue
CPG41341
CHOH2223

site_idGC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K C 1309
ChainResidue
BHOH2115
CSER185
CHOH2301
CHOH2306

site_idGC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K C 1310
ChainResidue
CSER72
CASP113
CHOH2056
CHOH2122
CHOH2125
CHOH2128

site_idGC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K C 1311
ChainResidue
AHOH2388
AHOH2389
CASP301
CILE303
CHOH2419
CHOH2422

site_idGC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1313
ChainResidue
CHOH2253
CHOH2256
CHOH2326

site_idGC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1314
ChainResidue
CVAL13
CHOH2077
CHOH2204
CHOH2207

site_idHC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL C 1315
ChainResidue
BHOH2271
CHOH2304

site_idHC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL C 1316
ChainResidue
CPRO36
CLYS37

site_idHC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL C 1317
ChainResidue
CASN121
CPRO122
CVAL123
CHIS176
CHOH2152

site_idHC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1318
ChainResidue
CARG89
CLYS295
CGLN299

site_idHC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1319
ChainResidue
CARG83
CARG89
CASN121

site_idHC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1320
ChainResidue
CARG160
CGLU200
CHOH2309

site_idHC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1321
ChainResidue
CARG152
CTHR222
CHOH2245
CHOH2287

site_idHC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1322
ChainResidue
BHOH2170
CASN192
CPRO194
CHOH2302

site_idHC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1323
ChainResidue
CASP135
CARG136
CHOH2172
CHOH2189

site_idIC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1326
ChainResidue
CASN20
CARG24
CHOH2031
DHOH2074

site_idIC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1327
ChainResidue
CMET213
CARG218
CCL1334

site_idIC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL C 1329
ChainResidue
BASP193
CLYS186
CASP280

site_idIC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL C 1334
ChainResidue
CMET213
CARG218
CCL1327
CHOH2135
CHOH2337

site_idIC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PG4 C 1341
ChainResidue
AASP102
AGLU109
CTYR131
CGLU132
CGLY134
CASP135
CARG136
CK1308
CHOH2223

site_idIC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PG4 C 1342
ChainResidue
CALA108
CGLU109
CTYR110
CASN111
CASP112
CK1307

site_idIC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K D 1305
ChainResidue
BASP240
BHOH2361
BHOH2362
BHOH2363
DASP28
DHOH2031

site_idIC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K D 1306
ChainResidue
DASP101
DSER105
DTHR133
DHOH2070

site_idIC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE K D 1307
ChainResidue
DGLU109

site_idJC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K D 1308
ChainResidue
DGLY134
DASP135
DPGE1341
DHOH2216

site_idJC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K D 1309
ChainResidue
AHOH2142
DSER185
DHOH2287
DHOH2289
DHOH2294

site_idJC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1313
ChainResidue
DVAL156
DHOH2243
DHOH2245
DHOH2315

site_idJC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1314
ChainResidue
DVAL13
DHOH2066
DHOH2135
DHOH2200

site_idJC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1315
ChainResidue
AHOH2326
DHOH2292

site_idJC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1316
ChainResidue
DPRO36
DLYS37

site_idJC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL D 1317
ChainResidue
DASN121
DPRO122
DVAL123
DHIS176
DHOH2149

site_idJC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL D 1318
ChainResidue
DARG89
DLYS295
DGLN299

site_idJC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL D 1319
ChainResidue
DARG83
DARG89
DASN121

site_idKC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL D 1320
ChainResidue
DARG160

site_idKC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL D 1321
ChainResidue
DARG152
DTHR222
DHOH2240
DHOH2273
DHOH2336

site_idKC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL D 1322
ChainResidue
AHOH2211
DASN192
DHOH2290

site_idKC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL D 1323
ChainResidue
DGLY134
DASP135
DHOH2070
DHOH2177
DHOH2178

site_idKC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1324
ChainResidue
DTYR131
DASP137
DARG138
DHOH2228

site_idKC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1325
ChainResidue
DASP113
DARG136
DASP137
DHOH2196

site_idKC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1326
ChainResidue
CHOH2092
DASN20
DARG24
DHOH2022

site_idKC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1327
ChainResidue
DARG218
DHOH2331

site_idKC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1328
ChainResidue
CGLN223
DGLN223

site_idLC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1330
ChainResidue
DGLY71
DGLY71

site_idLC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 1331
ChainResidue
DLEU205
DHOH2106
DHOH2121
DHOH2283

site_idLC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 1333
ChainResidue
DHOH2366
DHOH2367

site_idLC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL D 1335
ChainResidue
CTYR55
DARG154
DTHR171
DPRO246
DHOH2353

site_idLC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PGE D 1341
ChainResidue
DTYR131
DGLU132
DGLY134
DASP135
DARG136
DK1308
DHOH2215
DHOH2427

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P61889
ChainResidueDetails
AHIS176
BHIS176
CHIS176
DHIS176

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:O08349
ChainResidueDetails
AGLY8
CASP34
CASN96
CTHR119
DGLY8
DASP34
DASN96
DTHR119
AASP34
AASN96
ATHR119
BGLY8
BASP34
BASN96
BTHR119
CGLY8

site_idSWS_FT_FI3
Number of Residues16
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P61889
ChainResidueDetails
AARG83
CARG89
CASN121
CARG152
DARG83
DARG89
DASN121
DARG152
AARG89
AASN121
AARG152
BARG83
BARG89
BASN121
BARG152
CARG83

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PDB entries from 2024-07-24

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