Structure of PDB 1b4n Chain C Binding Site BS03

Receptor Information
>1b4n Chain C (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 IDGUA
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CCCC(=O)O
CACTVS 3.341OC(=O)CCCC(O)=O
FormulaC5 H8 O4
NameGLUTARIC ACID
ChEMBLCHEMBL1162495
DrugBankDB03553
ZINCZINC000000388706
PDB chain1b4n Chain C Residue 622 [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)		E308 Y416 W441 R481 R492 L493 V496 E497
Binding residue
(residue number reindexed from 1)		E308 Y416 W441 R473 R484 L485 V488 E489
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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