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4UR2

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

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 Residues9
DetailsBINDING SITE FOR RESIDUE SF4 A 502
ChainResidue
ASER341
ACYS372
ACYS383
AGLY384
AVAL385
ACYS386
ABVQ503
ACYS339
APRO340

site_idAC3
Number of Residues38
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
ASF4502
AIOD1463
AHOH2266
AHOH2275
AHOH2309
AHOH2310
AHOH2352

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 1463
ChainResidue
ATYR246
ABVQ503
AIOD1464

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 1464
ChainResidue
ATYR102
ATYR246
AIOD1463

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 513
ChainResidue
APHE38
ATHR39
ATRP56
ALEU186
AGLU189
AHOH2123
AHOH2125

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 514
ChainResidue
APHE110
AMET119
AMET254
AHOH2136
AHOH2147
AHOH2150
BPHE111

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 515
ChainResidue
AGLU330
APRO348
AARG349
AHOH2302
BHOH2171

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 516
ChainResidue
AARG349
ATHR350
AHOH2353
AHOH2354
BGLU172
BGLU191

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 517
ChainResidue
AARG109
APHE110
APRO177
AALA178
AVAL180

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SF4 B 501
ChainResidue
BSER290
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BVAL385
BCYS386
BBVQ503

site_idBC4
Number of Residues37
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
BHIS357
BASN358
BGLN359
BLYS362
BGLN364
BTYR369
BCYS372
BTRP376
BTYR382
BSF4502
BIOD1462
BHOH2207
BHOH2245
BHOH2246
BHOH2272

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD B 1462
ChainResidue
BTYR246
BBVQ503
BIOD1463

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IOD B 1463
ChainResidue
BPHE38
BTYR102
BTYR246
BIOD1462

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 513
ChainResidue
BPHE38
BPHE44
BTRP56
BLEU186
BGLU189
BHOH2094
BHOH2095
BHOH2172

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 514
ChainResidue
APHE111
AHOH2117
BPHE110
BLEU113
BMET119
BHOH2105
BHOH2114

site_idBC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 1465
ChainResidue
AVAL159
ASER455

site_idCC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 1464
ChainResidue
BVAL159
BSER455

site_idCC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 1466
ChainResidue
APHE196

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD B 1465
ChainResidue
BARG30
BVAL195
BPHE196

site_idCC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 1467
ChainResidue
AASN235

site_idCC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 1466
ChainResidue
BLYS192

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 2024-07-24

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