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5M90

PCE reductive dehalogenase from S. multivorans in complex with 3,4,5-trifluorophenol

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 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
AHOH644
AHOH673
AHOH717
AHOH761
AHOH764
AHOH787
AHOH817

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 504
ChainResidue
APHE38
APHE44
ATRP56
AGLU189
AHOH775
AHOH878

site_idAC5
Number of Residues10
Detailsbinding site for residue GOL A 505
ChainResidue
APHE110
ALEU113
AMET119
AMET254
AHOH709
AHOH711
AHOH719
AHOH721
AHOH747
BPHE111

site_idAC6
Number of Residues6
Detailsbinding site for residue GOL A 506
ChainResidue
AARG349
AHOH643
AHOH781
AHOH848
BGLU172
BGLU191

site_idAC7
Number of Residues3
Detailsbinding site for residue GOL A 507
ChainResidue
AASP322
AGLY324
AHOH701

site_idAC8
Number of Residues4
Detailsbinding site for residue BEN A 508
ChainResidue
AVAL34
ATHR39
APRO41
AGLU189

site_idAC9
Number of Residues11
Detailsbinding site for residue JIF A 509
ChainResidue
APHE38
ATRP56
ATRP96
ATYR102
ATHR242
ATYR246
AASN272
ATRP376
ATYR382
AHOH731
AHOH817

site_idAD1
Number of Residues9
Detailsbinding site for residue SF4 B 501
ChainResidue
BPHE328
BCYS329
BCYS332
BLYS333
BCYS335
BCYS390
BPHE392
BARG291
BMET292

site_idAD2
Number of Residues8
Detailsbinding site for residue SF4 B 502
ChainResidue
BCYS339
BPRO340
BSER341
BCYS372
BCYS383
BGLY384
BCYS386
BBVQ503

site_idAD3
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
BHOH644
BHOH650
BHOH671
BHOH694
BHOH717
BHOH751
BHOH828

site_idAD4
Number of Residues10
Detailsbinding site for residue GOL B 504
ChainResidue
APHE111
BPHE110
BLEU113
BMET119
BMET254
BHOH651
BHOH652
BHOH656
BHOH748
BHOH753

site_idAD5
Number of Residues6
Detailsbinding site for residue BEN B 505
ChainResidue
AASP322
BPHE44
BLEU186
BHIS187
BHOH603
BHOH604

site_idAD6
Number of Residues7
Detailsbinding site for residue BEN B 506
ChainResidue
AGLU327
BTHR39
BPHE44
BPHE45
BGLU189
BJIF508
BHOH604

site_idAD7
Number of Residues10
Detailsbinding site for residue JIF B 507
ChainResidue
BPHE38
BTRP56
BTRP96
BTYR102
BTYR246
BASN272
BTRP376
BTYR382
BHOH671
BHOH885

site_idAD8
Number of Residues10
Detailsbinding site for residue JIF B 508
ChainResidue
BVAL34
BTHR39
BPRO41
BVAL174
BGLU189
BILE190
BGLU191
BBEN506
BHOH857
BHOH872

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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