Structure of PDB 4jfr Chain A Binding Site BS01

Receptor Information
>4jfr Chain A (length=336) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMAFNLRNRNFLKLLDFSTKEIQFLIDLSADLKKAKYAGTEQKKLLGKN
IALIFEKASTRTRCAFEVAAFDQGAQVTYIGPSGSQIGDKESMKDTARVL
GRMYDGIQYRGFGQAIVEELGAFAGVPVWNGLTDEFHPTQILADFLTMLE
HSQGKALADIQFAYLGDARNNVGNSLMVGAAKMGMDIRLVGPQAYWPDEE
LVAACQAIAKQTGGKITLTENVAEGVQGCDFLYTDVWVSMGESPEAWDER
VALMKPYQVNMNVLKQTGNPNVKFMHCLPAFHNDETTIGKQVADKFGMKG
LEVTEEVFESEHSIVFDEAENRMHTIKAVMVATLGS
Ligand information
Ligand IDCP
InChIInChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKeyFFQKYPRQEYGKAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(=O)(N)OP(=O)(O)O
FormulaC H4 N O5 P
NamePHOSPHORIC ACID MONO(FORMAMIDE)ESTER
ChEMBLCHEMBL369105
DrugBank
ZINCZINC000008383183
PDB chain4jfr Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jfr Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis
Resolution2.17 Å
Binding residue
(original residue number in PDB)		S57 T58 R59 T60 R108 H135 Q138 C275 R320
Binding residue
(residue number reindexed from 1)		S59 T60 R61 T62 R110 H137 Q140 C277 R322
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R59 T60 D87 R108 H135 Q138 D233 C275 R320
Catalytic site (residue number reindexed from 1) R61 T62 D89 R110 H137 Q140 D235 C277 R322
Enzyme Commision number 2.1.3.3: ornithine carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004585 ornithine carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016743 carboxyl- or carbamoyltransferase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0006591 ornithine metabolic process
GO:0019240 citrulline biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jfr, PDBe:4jfr, PDBj:4jfr
PDBsum4jfr
PubMed
UniProtQ8DCF5|OTC_VIBVU Ornithine carbamoyltransferase (Gene Name=argF)

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