Structure of PDB 3ufh Chain A Binding Site BS13

Receptor Information
>3ufh Chain A (length=800) Species: 1043181 (Shewanella sp. HRCR_06) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDISQATTLKATLEDVKIDNGTVSVDIVLTNANGVPVTGLEQYAQINAI
GLGIAKLTPESGKGYKTPQWVSYINSVKAADPARSLANYSYTDGKDSAGN
PITKEVKFTPGDAIQANIESSCKTTCLTVVDSGVYRYTFQTNLSTLPAIE
GLDLTYDPTLIHRITLELQTDGSKDAKLVNSHIDFLPSDNFRVAKETETR
TVVDLEANCIKCHSTNYSDTSSTAKPLALHGGRRIGIANCQVCHTSYSKD
PETGSPLDMGAMVHAIHKGTYAMVGYSGTAYDFSGTMAKAAAESGYPQYR
EGKDVSERVTLPVSIGNCQSCHSTDDKGPVDAASFKHHKGLACASCHMSG
FNPVDNSEWLTPPEGQKDRGFVGNYFHYYATPEIDGIPGVNLVHVFQNGG
CASCHAEQGEEGSAKYHLAKANATKLLRTEYAYKLENGTFDVAKGELTFT
VNWHSDVAPHQDPKVKEFWVSLTAFNGTEYTMGPRPSNGTLGRSENRISV
NLAKVETNANLTAVPNGSKVTYTLTGIKAVIGTSSVPYKQIVSIGKGFMD
GKLLICANSAELDPTMDAAIDCSNTEAPIYEVIVGSNKASFSADASNVTA
RSIVISEAKCANCHGEKADFSASHALTHAADKPDNSCGTCHSAVPNTAVA
LADGSCVACHNGAPAHSKKPFERGFDFKVMIHQIHADTRSVRRLTTDAAT
FPENPANCAACHDKGQLSLATLGNKPAFLASTGEYSPTVAACASCHATTA
TDSAVIGHFETNGGVYNAAAGTYTPGSETCATCHGEGKSFGVDKVHPVKY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ufh Chain A Residue 913 [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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PDB3ufh The Crystal Structure of the Extracellular 11-heme Cytochrome UndA Reveals a Conserved 10-heme Motif and Defined Binding Site for Soluble Iron Chelates.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D293 E295 V317
Binding residue
(residue number reindexed from 1)		D250 E252 V274
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ufh, PDBe:3ufh, PDBj:3ufh
PDBsum3ufh
PubMed22682743
UniProtF8UWD6

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