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5M8Z

PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol

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 Residues41
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
ASF4502
AZTN513
AHOH612
AHOH669
AHOH684
AHOH702
AHOH760
AHOH788

site_idAC4
Number of Residues6
Detailsbinding site for residue BEN A 504
ChainResidue
ATHR39
APHE44
APHE45
AGLU189
AASP408
ABEN512

site_idAC5
Number of Residues8
Detailsbinding site for residue GOL A 505
ChainResidue
APHE38
APHE44
ATRP56
ATYR106
ALEU186
AGLU189
AHOH674
AHOH759

site_idAC6
Number of Residues9
Detailsbinding site for residue GOL A 506
ChainResidue
APHE110
AMET119
AMET254
AHOH715
AHOH736
AHOH752
AHOH764
AHOH765
BPHE111

site_idAC7
Number of Residues6
Detailsbinding site for residue GOL A 508
ChainResidue
AARG349
AHOH630
AHOH701
AHOH790
BGLU172
BGLU191

site_idAC8
Number of Residues4
Detailsbinding site for residue GOL A 509
ChainResidue
AASP322
AGLY324
AHOH645
AHOH672

site_idAC9
Number of Residues4
Detailsbinding site for residue GOL A 510
ChainResidue
AARG354
AASP368
ALYS371
BGLU378

site_idAD1
Number of Residues13
Detailsbinding site for residue ZTN A 513
ChainResidue
AARG305
ATRP376
ATYR382
ABVQ503
AHOH612
AHOH674
AHOH694
APHE38
ATRP56
ATRP96
ATYR102
ATYR246
AASN272

site_idAD2
Number of Residues9
Detailsbinding site for residue SF4 B 501
ChainResidue
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390
BPHE392

site_idAD3
Number of Residues8
Detailsbinding site for residue SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idAD4
Number of Residues41
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
BVAL387
BSF4502
BZTN507
BHOH614
BHOH639
BHOH659
BHOH682
BHOH739
BHOH829

site_idAD5
Number of Residues5
Detailsbinding site for residue GOL B 504
ChainResidue
BPHE38
BLEU186
BGLU189
BHOH610
BHOH615

site_idAD6
Number of Residues9
Detailsbinding site for residue GOL B 505
ChainResidue
APHE111
BPHE110
BLEU113
BMET119
BHOH634
BHOH647
BHOH656
BHOH686
BHOH702

site_idAD7
Number of Residues11
Detailsbinding site for residue ZTN B 507
ChainResidue
BPHE38
BTRP56
BTRP96
BTYR102
BTYR246
BASN272
BARG305
BTRP376
BTYR382
BBVQ503
BHOH610

site_idAD8
Number of Residues31
Detailsbinding site for residues GOL A 507 and BEN B 506
ChainResidue
APHE110
AMET119
AMET254
AGLU330
APRO348
AARG349
AHOH614
AHOH712
AHOH715
AHOH736
AHOH752
AHOH764
AHOH765
AHOH871
BVAL34
BPHE38
BTHR39
BPRO41
BTRP56
BTRP96
BTYR102
BPHE111
BGLU189
BGLU191
BTYR246
BASN272
BARG305
BTRP376
BTYR382
BBVQ503
BHOH610

site_idAD9
Number of Residues12
Detailsbinding site for residues GOL A 511 and BEN A 512
ChainResidue
AALA1
AGLU2
AVAL34
ATHR39
AGLU189
AGLU191
AHIS400
AASP401
AGLY402
ABEN504
AHOH608
AHOH749

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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