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4UR0

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

Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SF4 A 501
ChainResidue
AMET292
ACYS329
ACYS332
ALYS333
ACYS335
ACYS390

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

site_idAC3
Number of Residues42
DetailsBINDING SITE FOR RESIDUE BVQ A 503
ChainResidue
ATYR31
ATHR36
AALA37
APHE38
ATYR170
ATHR242
ATYR246
AMET249
AASN272
AGLY275
AGLN276
ASER277
AVAL278
AALA279
AALA289
AMET292
AGLY293
AALA294
ACYS295
APRO302
AVAL304
AARG305
ALEU306
ALYS308
AHIS357
AASN358
AGLN359
ALYS362
AGLN364
ATYR369
ACYS372
ATRP376
ATYR382
AVAL387
ASF4502
AHOH2323
AHOH2329
AHOH2338
AHOH2340
AHOH2384
AHOH2385
AHOH2447

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BEN A 511
ChainResidue
ATHR39
APHE44
AGLU189
AASP408

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 513
ChainResidue
APHE38
APHE44
ATRP56
AGLU189
AHOH2164
AHOH2166

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 514
ChainResidue
APHE110
ALEU113
AMET119
AHOH2180
AHOH2192
AHOH2193
BPHE111

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 515
ChainResidue
ATHR326
AGLU330
APRO348
AARG349
AHOH2373

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 516
ChainResidue
AARG349
ATHR350
AHOH2378
AHOH2448
AHOH2449
BGLU172
BGLU191

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 517
ChainResidue
AASP322
AGLY324
AHOH2351
AHOH2352
AHOH2407

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 518
ChainResidue
AARG354
AASP368
ALYS371

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 519
ChainResidue
AHOH2278
AHOH2401
AALA1
AGLU191
AHIS400
AASP401
AGLY402
AHOH2081

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SF4 B 501
ChainResidue
BSER290
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idBC5
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
BHOH2282
BHOH2289
BHOH2292
BHOH2327
BHOH2328
BHOH2358

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TCV B 505
ChainResidue
BPHE38
BTYR102
BTYR246
BASN272
BHOH2131

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 513
ChainResidue
BPHE38
BTRP56
BLEU186
BGLU189
BHOH2130
BHOH2131
BHOH2227

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 514
ChainResidue
APHE111
AHOH2157
BPHE110
BLEU113
BMET119
BHOH2144
BHOH2156

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

218853

PDB entries from 2024-04-24

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