Structure of PDB 3r8y Chain C Binding Site BS01

Receptor Information

>3r8y Chain C (length=201) Species: 1392 (Bacillus anthracis)

EKKTPVKVYIKGDLKEVTFPETVQAFVNKKSGVLFGEWSEIKTILDENSK
YIVDYVVENDRRNSAIPMLDLKGIKARIEPGAIIRDHVEIGDNAVIMMNA
TINIGAVIGEGSMIDMNAVLGGRATVGKNCHVGAGAVLAGVIEPPSAKPV
IVEDDVVIGANVVVLEGVTVGKGAVVAAGAVVTEDVPPYTVVAGTPARVI
K

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3r8y Chain C Residue 241

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3r8y Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): G137 G138 I158
• Binding residue (residue number reindexed from 1): G121 G122 I142
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D131 G156 V179
• Catalytic site (residue number reindexed from 1): D115 G140 V163
• Enzyme Commision number: 2.3.1.89: tetrahydrodipicolinate N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0016407 acetyltransferase activity
• GO:0016740 transferase activity
• GO:0016746 acyltransferase activity
• GO:0047200 tetrahydrodipicolinate N-acetyltransferase activity

Biological Process

• GO:0009085 lysine biosynthetic process
• GO:0009089 lysine biosynthetic process via diaminopimelate
• GO:0019877 diaminopimelate biosynthetic process

External links

• PDB: RCSB:3r8y, PDBe:3r8y, PDBj:3r8y
• PDBsum: 3r8y
• UniProt: Q81MQ2|DAPH_BACAN 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase (Gene Name=dapH)