Structure of PDB 4nf2 Chain B Binding Site BS02

Receptor Information
>4nf2 Chain B (length=307) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVPKLNTKDLLTLEELTQEEIISLIEFAIYLKKNKQEPLLQGKILGLIFD
KHSTRTRVSFEAGMVQLGGHGMFLNGKEMQMQRGETVSDTAKVLSHYIDG
IMIRTFSHADVEELAKESSIPVINGLTDDHHPCQALADLMTIYEETNTFK
GIKLAYVGDGNNVCHSLLLASAKVGMHMTVATPVGYRPNEEIVKKALAIA
KETGAEIEILHNPELAVNEADFIYTDVWMSMGQEGEEEKYTLFQPYQINK
ELVKHAKQTYHFLHCLPAHREEEVTGEIIDGPQSIVFEQAGNRLHAQKAL
LVSLFKN
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 chain4nf2 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nf2 Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis
Resolution1.74 Å
Binding residue
(original residue number in PDB)		S57 T58 R59 T60 R108 H135 Q138 C269 L270 R297
Binding residue
(residue number reindexed from 1)		S53 T54 R55 T56 R104 H131 Q134 C265 L266 R293
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R59 T60 R87 R108 H135 Q138 D230 C269 R297
Catalytic site (residue number reindexed from 1) R55 T56 R83 R104 H131 Q134 D226 C265 R293
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:4nf2, PDBe:4nf2, PDBj:4nf2
PDBsum4nf2
PubMed
UniProtQ81M99|OTC_BACAN Ornithine carbamoyltransferase (Gene Name=argF)

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