Structure of PDB 4h31 Chain C Binding Site BS01

Receptor Information
>4h31 Chain C (length=334) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFNLRNRNFLKLLDFSTKEIQFLIDLSADLKKAKYAGTEQKKLLGKNIA
LIFEKASTRTRCAFEVAAFDQGAQVTYIGPSGSQIGDKESMKDTARVLGR
MYDGIQYRGFGQAIVEELGAFAGVPVWNGLTDEFHPTQILADFLTMLEHS
QGKALADIQFAYLGDARNNVGNSLMVGAAKMGMDIRLVGPQAYWPDEELV
AACQAIAKQTGGKITLTENVAEGVQGCDFLYTDVWVSMGESPEAWDERVA
LMKPYQVNMNVLKQTGNPNVKFMHCLPAFHNDETTIGKQVADKFGMKGLE
VTEEVFESEHSIVFDEAENRMHTIKAVMVATLGS
Ligand information
Ligand IDNVA
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeySNDPXSYFESPGGJ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC[CH](N)C(O)=O
CACTVS 3.341CCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCC
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)N
FormulaC5 H11 N O2
NameNORVALINE
ChEMBLCHEMBL55612
DrugBankDB04185
ZINCZINC000000391821
PDB chain4h31 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h31 Structural studies of ornithine carbamoyltransferase from various pathogens
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L130 N169 D233 S237 M238
Binding residue
(residue number reindexed from 1)		L130 N169 D233 S237 M238
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) R59 T60 D87 R108 H135 Q138 D233 C275 R320
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:4h31, PDBe:4h31, PDBj:4h31
PDBsum4h31
PubMed
UniProtQ8DCF5|OTC_VIBVU Ornithine carbamoyltransferase (Gene Name=argF)

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