Structure of PDB 4rkn Chain D Binding Site BS12

Receptor Information
>4rkn Chain D (length=660) Species: 273121 (Wolinella succinogenes DSM 1740) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTK
YGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNS
TLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDP
VFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLK
NGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYV
RGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQ
KHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPL
NAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTG
NVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTH
SKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSL
VAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCH
SPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEV
KKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYI
NEAQRIMKKS
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain4rkn Chain D Residue 912 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4rkn The octahaem MccA is a haem c-copper sulfite reductase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K208 Y285 R366 K393 C399 C495
Binding residue
(residue number reindexed from 1)		K179 Y256 R337 K364 C370 C466
Annotation score5
Enzymatic activity
Enzyme Commision number 1.8.99.-
Gene Ontology
Molecular Function
GO:0016002 sulfite reductase activity
GO:0020037 heme binding
Biological Process
GO:0070814 hydrogen sulfide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4rkn, PDBe:4rkn, PDBj:4rkn
PDBsum4rkn
PubMed25642962
UniProtQ7MSJ8|MCCA_WOLSU Dissimilatory sulfite reductase MccA (Gene Name=mccA)

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