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5MA1

PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol

Functional Information from PDB Data
site_idAC1
Number of Residues11
Detailsbinding site for residue SF4 A 501
ChainResidue
ASER290
APRO391
APHE392
AARG291
AMET292
APHE328
ACYS329
ACYS332
ALYS333
ACYS335
ACYS390

site_idAC2
Number of Residues10
Detailsbinding site for residue SF4 A 502
ChainResidue
ACYS339
APRO340
ASER341
AILE344
ACYS372
ACYS383
AGLY384
AVAL385
ACYS386
ABVQ503

site_idAC3
Number of Residues37
Detailsbinding site for residue BVQ A 503
ChainResidue
ATYR31
ATHR36
AALA37
APHE38
ATYR170
ATYR246
AMET249
AASN272
AGLY275
AGLN276
ASER277
AVAL278
AALA289
AMET292
AGLY293
AALA294
ACYS295
APRO302
AVAL304
AARG305
ALEU306
ALYS308
AHIS357
AASN358
AGLN359
ALYS362
AGLN364
ATYR369
ACYS372
ATRP376
ATYR382
ASF4502
AT6C505
AHOH630
AHOH666
AHOH671
AHOH675

site_idAC4
Number of Residues9
Detailsbinding site for residue GOL A 504
ChainResidue
APHE110
APHE111
ALEU113
AMET254
AHOH601
AHOH620
AHOH627
AHOH640
AHOH646

site_idAC5
Number of Residues10
Detailsbinding site for residue T6C A 505
ChainResidue
APHE38
ATRP56
ATRP96
ATYR102
ATHR242
ATYR246
AARG305
ATRP376
ATYR382
ABVQ503

site_idAC6
Number of Residues11
Detailsbinding site for residue SF4 B 501
ChainResidue
BSER290
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390
BPRO391
BPHE392

site_idAC7
Number of Residues8
Detailsbinding site for residue SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idAC8
Number of Residues35
Detailsbinding site for residue BVQ B 503
ChainResidue
BPHE38
BTYR170
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
BT6C505
BHOH636
BHOH672
BTYR31
BTHR36
BALA37

site_idAC9
Number of Residues7
Detailsbinding site for residue GOL B 504
ChainResidue
APHE111
BPHE110
BLEU113
BMET119
BHOH648
BHOH653
BHOH655

site_idAD1
Number of Residues11
Detailsbinding site for residue T6C B 505
ChainResidue
BPHE38
BTRP56
BTYR102
BTHR242
BTYR246
BASN272
BARG305
BTRP376
BTYR382
BBVQ503
BHOH642

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

222624

PDB entries from 2024-07-17

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