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4UR1

Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with dibromoethene

Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SF4 A 501
ChainResidue
AARG291
AMET292
ACYS329
ACYS332
ALYS333
ACYS335
ACYS390

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SF4 A 502
ChainResidue
ASER341
ACYS372
ACYS383
AGLY384
ACYS386
ABVQ503
ACYS339
APRO340

site_idAC3
Number of Residues39
DetailsBINDING SITE FOR RESIDUE BVQ A 503
ChainResidue
ATYR31
ATHR36
AALA37
APHE38
ATYR170
ATHR242
ATYR246
AMET249
AASN272
AGLY275
AGLN276
ASER277
AVAL278
AALA289
AMET292
AGLY293
AALA294
ACYS295
APRO302
AVAL304
AARG305
ALEU306
AHIS357
AASN358
AGLN359
ALYS362
AGLN364
ATYR369
ACYS372
ATRP376
ATYR382
AVAL387
ASF4502
AHOH2325
AHOH2330
AHOH2340
AHOH2387
AHOH2388
AHOH2452

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CB0 A 505
ChainResidue
ATRP56
ATYR102
ATYR246
ATRP376

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE BEN A 511
ChainResidue
ATHR39
APHE44
APHE45
ALEU186
AGLU189
AASP408

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BEN A 512
ChainResidue
ATHR42
AASP401
AGLU404
ALEU406
AGOL517
AHOH2085
AHOH2412
BVAL53

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 513
ChainResidue
APHE38
APHE44
ATRP56
AASN101
AGLU189
AHOH2165
AHOH2167

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 514
ChainResidue
APHE110
ALEU113
AMET119
AHOH2179
AHOH2191
AHOH2192
BPHE111

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 515
ChainResidue
AGLU330
APRO348
AARG349
AHOH2375
BHOH2230

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 516
ChainResidue
AARG349
ATHR350
AHOH2380
AHOH2453
AHOH2454
BGLU172

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 517
ChainResidue
ABEN512
AHOH2411
AASP322
AGLY324

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 518
ChainResidue
AARG354
AASP368
ALYS371

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 519
ChainResidue
AALA1
AGLU191
AHIS400
AASP401
AGLY402
AHOH2082
AHOH2277
AHOH2404

site_idBC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SF4 B 501
ChainResidue
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390
BPHE392

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idBC7
Number of Residues39
DetailsBINDING SITE FOR RESIDUE BVQ B 503
ChainResidue
BTYR31
BTHR36
BALA37
BPHE38
BTYR170
BTHR242
BTYR246
BMET249
BASN272
BGLY275
BGLN276
BSER277
BVAL278
BALA289
BMET292
BGLY293
BALA294
BCYS295
BPRO302
BVAL304
BARG305
BLEU306
BLYS308
BHIS357
BASN358
BGLN359
BLYS362
BGLN364
BTYR369
BCYS372
BTRP376
BTYR382
BSF4502
BHOH2280
BHOH2284
BHOH2294
BHOH2331
BHOH2332
BHOH2364

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CB0 B 505
ChainResidue
BTYR102
BTYR246

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE BEN B 511
ChainResidue
AHOH2352
BPRO55
BPHE57
BLEU186
BHIS187
BHOH2228

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 513
ChainResidue
BPHE38
BTRP56
BASN101
BLEU186
BGLU189
BHOH2133
BHOH2134
BHOH2231

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 514
ChainResidue
APHE111
AHOH2158
BPHE110
BLEU113
BMET119
BHOH2147
BHOH2159

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 515
ChainResidue
BGLU330
BPRO348
BARG349
BHOH2320

Functional Information from PROSITE/UniProt
site_idPS00198
Number of Residues12
Details4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CeTCKkCArECP
ChainResidueDetails
ACYS329-PRO340

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PDB entries from 2024-09-18

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