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5WGX

Crystal Structure of MalA' H253A, malbrancheamide B complex

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004497molecular_functionmonooxygenase activity
A0044550biological_processsecondary metabolite biosynthetic process
A0140907molecular_functionflavin-dependent halogenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues38
Detailsbinding site for residue FAD A 701
ChainResidue
AGLY44
AILE79
AGLY80
AGLU81
ASER82
AARG144
AGLU167
AVAL168
APHE170
AALA206
ATHR207
AGLY46
AGLY208
AALA230
ATRP265
AARG379
AASP399
APHE403
APRO406
ASER409
AGLY411
AILE412
AILE47
AASN413
AHOH813
AHOH881
AHOH947
AHOH958
AHOH962
AHOH1054
AHOH1081
AHOH1118
AHIS48
AILE69
AGLU70
ALYS71
AASN72
ALYS78

site_idAC2
Number of Residues4
Detailsbinding site for residue CD A 702
ChainResidue
AGLU11
AGLU11
AHOH1233
AHOH1233

site_idAC3
Number of Residues6
Detailsbinding site for residue CD A 703
ChainResidue
AHIS531
AHIS531
AGLU548
AGLU548
AHOH1271
AHOH1271

site_idAC4
Number of Residues2
Detailsbinding site for residue CD A 704
ChainResidue
AASP543
AASP547

site_idAC5
Number of Residues2
Detailsbinding site for residue CD A 705
ChainResidue
ACYS112
ACYS128

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN A 706
ChainResidue
ACYS597
ACYS600
ACYS613
ACYS616

site_idAC7
Number of Residues6
Detailsbinding site for residue SO4 A 707
ChainResidue
AASN229
ALYS345
ALYS380
AHOH815
AHOH824
AHOH932

site_idAC8
Number of Residues4
Detailsbinding site for residue SO4 A 708
ChainResidue
APRO238
ALYS239
AASP240
AHOH897

site_idAC9
Number of Residues2
Detailsbinding site for residue SO4 A 709
ChainResidue
AARG220
AARG222

site_idAD1
Number of Residues8
Detailsbinding site for residue SO4 A 710
ChainResidue
APRO301
ASER302
AGLU305
ALYS612
ACYS616
AGLY617
AHOH865
AHOH883

site_idAD2
Number of Residues3
Detailsbinding site for residue SO4 A 711
ChainResidue
APRO35
AASP36
AGLU37

site_idAD3
Number of Residues3
Detailsbinding site for residue SO4 A 712
ChainResidue
AARG607
AHOH817
AHOH1138

site_idAD4
Number of Residues3
Detailsbinding site for residue SO4 A 713
ChainResidue
AARG340
AGLU341
AHOH821

site_idAD5
Number of Residues5
Detailsbinding site for residue SO4 A 715
ChainResidue
AARG340
AASN368
AHOH801
AHOH802
AHOH928

site_idAD6
Number of Residues3
Detailsbinding site for residue SO4 A 716
ChainResidue
AARG209
AARG379
AHOH805

site_idAD7
Number of Residues4
Detailsbinding site for residue CL A 717
ChainResidue
ALYS108
ALEU111
ASER409
AHOH1085

site_idAD8
Number of Residues14
Detailsbinding site for residue MB5 A 718
ChainResidue
AGLY131
AALA132
APRO133
APHE489
AILE493
AGLU494
ATRP514
ALEU568
AILE573
ATRP645
AHOH1013
AHOH1108
APRO85
AVAL130

site_idAD9
Number of Residues14
Detailsbinding site for residues SO4 A 714 and MB5 A 719
ChainResidue
AGLY179
AGLN180
ATRP421
AGLY433
ALYS434
ASER435
AALA436
APRO437
AALA438
AHIS507
AILE510
ALYS511
AGLU656
AHOH917

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:28777910, ECO:0007744|PDB:5WGR, ECO:0007744|PDB:5WGS, ECO:0007744|PDB:5WGT, ECO:0007744|PDB:5WGU, ECO:0007744|PDB:5WGV, ECO:0007744|PDB:5WGW, ECO:0007744|PDB:5WGX, ECO:0007744|PDB:5WGY, ECO:0007744|PDB:5WGZ
ChainResidueDetails
ALYS108

site_idSWS_FT_FI2
Number of Residues13
DetailsBINDING: BINDING => ECO:0000269|PubMed:28777910, ECO:0007744|PDB:5WGR, ECO:0007744|PDB:5WGS, ECO:0007744|PDB:5WGT, ECO:0007744|PDB:5WGU, ECO:0007744|PDB:5WGV, ECO:0007744|PDB:5WGW, ECO:0007744|PDB:5WGX, ECO:0007744|PDB:5WGY, ECO:0007744|PDB:5WGZ
ChainResidueDetails
AVAL168
AASP399
AILE412
AGLU494
ACYS597
ACYS600
ACYS613
ACYS616
AHIS48
AGLU70
AILE79
ASER82
AARG144

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PDB entries from 2024-06-12

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