Structure of PDB 1js1 Chain Y Binding Site BS01

Receptor Information

>1js1 Chain Y (length=318) Species: 817 (Bacteroides fragilis)

MKKFTCVQDIGDLKSALAESFEIKKDRFKYVELGRNKTLLMIFFNSSLRT
RLSTQKAALNLGMNVIVLDINQGAWKLETERGVIMDGDKPEHLLEAIPVM
GCYCDIIGVRSFARFENREYDYNEVIINQFIQHSGRPVFSMEAATRHPLQ
SFADLITIEEYKKTARPKVVMTWAPHPRPLPQAVPNSFAEWMNATDYEFV
ITHPEGYELDPKFVGNARVEYDQMKAFEGADFIYAKNWAAYTGDNYGQIL
STDRNWTVGDRQMAVTNNAYFMHCLPVRRNMIVTDDVIESPQSIVIPEAA
NREISATVVLKRLLENLP

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1js1 Chain Y Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1js1 Crystal structure of a transcarbamylase-like protein from the anaerobic bacterium Bacteroides fragilis at 2.0 A resolution.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): S47 R49 T50 R110
• Binding residue (residue number reindexed from 1): S47 R49 T50 R110
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K236
• Catalytic site (residue number reindexed from 1): K236
• Enzyme Commision number: 2.1.3.11: N-succinylornithine 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:0019240 citrulline biosynthetic process
• GO:0042450 arginine biosynthetic process via ornithine

External links

• PDB: RCSB:1js1, PDBe:1js1, PDBj:1js1
• PDBsum: 1js1
• PubMed: 12095263
• UniProt: Q8A1E9|SOTC_BACTN N-succinylornithine carbamoyltransferase (Gene Name=argF')