Structure of PDB 1b4n Chain D Binding Site BS01

Receptor Information
>1b4n Chain D (length=611) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYGWWGRILRVNLTTGEVKVQEYPEEVAKKFIGGRGLAAWILWNEARGVE
PLSPENKLIFAAGPFNGLPTPSGGKLVVAAKSPLTGGYGDGNLGTMASVH
LRRAGYDALVVEGKAKKPVYIYIEDDNVSILSAEGLWGKTTFETERELKE
IHGKNVGVLTIGPAGENLVKYAVVISQEGRAAGRPGMGAVMGSKKLKAVV
IRGTKEIPVADKEELKKLSQEAYNEILNSPGYPFWKRQGTMAAVEWCNTN
YALPTRNFSDGYFEFARSIDGYTMEGMKVQQRGCPYCNMPCGNVVLDAEG
QESELDYENVALLGSNLGIGKLNEVSVLNRIADEMGMDTISLGVSIAHVM
EAVERGILKEGPTFGDFKGAKQLALDIAYRKGELGNLAAEGVKAMAEKLG
THDFAMHVKGLEVSGYNCYIYPAMALAYGTSAIGAHHKEAWVIAWEIGTA
PIEYKISYDPIKAQKVVELQRLRGGLFEMLTACRLPWVEVGLSLDYYPKL
LKAITGVTYTWDDLYKAADRVYSLIRAYWVREFNGKWDRKMDYPPKRWFT
EGLKSGPHKGEHLDEKKYDELLSEYYRIRGWDERGIPKKETLKELDLDFV
IPELEKVTNLE
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 chain1b4n Chain D Residue 620 [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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PDB1b4n Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G179 E304 D306
Binding residue
(residue number reindexed from 1)		G179 E304 D306
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.5: aldehyde ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
GO:0033726 aldehyde ferredoxin oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1b4n, PDBe:1b4n, PDBj:1b4n
PDBsum1b4n
PubMed10024458
UniProtQ8U1K3

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