Structure of PDB 4rkn Chain D Binding Site BS11

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 911 [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)		Q191 G192
Binding residue
(residue number reindexed from 1)		Q162 G163
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

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Molecular Function
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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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