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5M8U

PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol

Functional Information from GO Data
ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0005886cellular_componentplasma membrane
A0016491molecular_functionoxidoreductase activity
A0046872molecular_functionmetal ion binding
A0051539molecular_function4 iron, 4 sulfur cluster binding
B0005737cellular_componentcytoplasm
B0005886cellular_componentplasma membrane
B0016491molecular_functionoxidoreductase activity
B0046872molecular_functionmetal ion binding
B0051539molecular_function4 iron, 4 sulfur cluster binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue SF4 A 501
ChainResidue
AARG291
ACYS329
ACYS332
ALYS333
ACYS335
ACYS390

site_idAC2
Number of Residues9
Detailsbinding site for residue SF4 A 502
ChainResidue
AILE344
ACYS372
ACYS383
AGLY384
ACYS386
ABVQ503
ACYS339
APRO340
ASER341

site_idAC3
Number of Residues43
Detailsbinding site for residue BVQ A 503
ChainResidue
AILE22
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
AHOH601
AHOH688
AHOH694
AHOH735
AHOH782
AHOH799
AHOH868

site_idAC4
Number of Residues4
Detailsbinding site for residue BEN A 504
ChainResidue
ATHR39
APHE44
AGLU189
AILE399

site_idAC5
Number of Residues7
Detailsbinding site for residue GOL A 505
ChainResidue
APHE38
APHE44
ATRP56
AASN101
AGLU189
AHOH658
AHOH767

site_idAC6
Number of Residues10
Detailsbinding site for residue GOL A 506
ChainResidue
APHE110
ALEU113
AMET119
AMET254
AHOH662
AHOH714
AHOH726
AHOH749
AHOH806
BPHE111

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 507
ChainResidue
AGLU330
APRO348
AARG349
AHOH609
AHOH736

site_idAC8
Number of Residues7
Detailsbinding site for residue GOL A 508
ChainResidue
AARG349
AHOH645
AHOH657
AHOH722
BGLU172
BGLU191
BHOH680

site_idAC9
Number of Residues5
Detailsbinding site for residue GOL A 509
ChainResidue
AASP322
AHOH702
AHOH762
AHOH898
BPHE45

site_idAD1
Number of Residues4
Detailsbinding site for residue GOL A 510
ChainResidue
BGLU378
AARG354
AASP368
ALYS371

site_idAD2
Number of Residues9
Detailsbinding site for residue GOL A 511
ChainResidue
APHE111
AHOH620
AHOH628
AHOH689
AHOH894
BPHE110
BLEU113
BMET119
BHOH628

site_idAD3
Number of Residues9
Detailsbinding site for residue BML A 512
ChainResidue
APHE38
ATRP56
ATRP96
ATYR102
ATYR246
AARG305
ATRP376
ATYR382
AHOH601

site_idAD4
Number of Residues3
Detailsbinding site for residue BML A 513
ChainResidue
ALEU124
BLEU186
BHIS187

site_idAD5
Number of Residues9
Detailsbinding site for residue SF4 B 501
ChainResidue
BARG291
BMET292
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390
BPHE392

site_idAD6
Number of Residues8
Detailsbinding site for residue SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idAD7
Number of Residues40
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
BHOH601
BHOH610
BHOH623
BHOH661
BHOH704
BHOH746
BHOH805

site_idAD8
Number of Residues6
Detailsbinding site for residue GOL B 504
ChainResidue
BPHE38
BTHR39
BASN101
BGLU189
BHOH634
BHOH643

site_idAD9
Number of Residues10
Detailsbinding site for residue BML B 505
ChainResidue
BPHE38
BTRP56
BTRP96
BTYR102
BTYR246
BASN272
BARG305
BTRP376
BTYR382
BHOH601

site_idAE1
Number of Residues5
Detailsbinding site for residue BML B 506
ChainResidue
ALEU186
AHIS187
BLEU124
BHOH895
BHOH904

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues30
DetailsBINDING: BINDING => ECO:0000269|PubMed:28671181, ECO:0000269|PubMed:29378885, ECO:0000312|PDB:5M2G, ECO:0000312|PDB:5M8U, ECO:0000312|PDB:5M8W, ECO:0000312|PDB:5MA2, ECO:0000312|PDB:5OBP
ChainResidueDetails
AALA37
AHIS357
ACYS372
ATYR382
ACYS383
ACYS386
ACYS390
BALA37
BTYR170
BASN272
BMET292
ATYR170
BVAL304
BCYS329
BCYS332
BCYS335
BCYS339
BHIS357
BCYS372
BTYR382
BCYS383
BCYS386
AASN272
BCYS390
AMET292
AVAL304
ACYS329
ACYS332
ACYS335
ACYS339

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PDB entries from 2024-08-14

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