Structure of PDB 4rkn Chain A Binding Site BS11

Receptor Information
>4rkn Chain A (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]
MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKY
GGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNST
LQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPV
FDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKN
GTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVR
GLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQK
HTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLN
AGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGN
VTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHS
KNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLV
AGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHS
PVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVK
KLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYIN
EAQRIMKKSL
Ligand information
Ligand IDDTN
InChIInChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)/p-2
InChIKeyGRWZHXKQBITJKP-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5[O-]S(=O)S(=O)[O-]
ACDLabs 10.04[O-]S(=O)S([O-])=O
CACTVS 3.385[O-][S](=O)[S]([O-])=O
FormulaO4 S2
NameDITHIONITE
ChEMBL
DrugBank
ZINC
PDB chain4rkn Chain A 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)		Y624 I644 E645 Q648
Binding residue
(residue number reindexed from 1)		Y594 I614 E615 Q618
Annotation score1
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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