Structure of PDB 2d1g Chain B Binding Site BS01

Receptor Information

>2d1g Chain B (length=472) Species: 264 (Francisella tularensis subsp. novicida)

SKPNDYQKLFNNANTLKTTTPIKHVVIIFQENNSFDRYFGMYPNAKNPEG
EPKFVAKENTPNVNGLTKQLLENNPNTKNPYRLDRNFQPCSQNHEYHQEI
SSFNGGLMNKFVEHGGCDGQVMGYYDGNTVTALWNYAQNFALNDNTFGTT
FGPSTPGALNLVAGANGPAMSPSGNLENIENNYIIDDPNPYYDDCSYGTS
KSGDTNTAVAKITDGYNIGHYLTQKGITWGWFQGGFKPTSYSGKTAICDA
MSTNKFGVKSRDYIPHHEPFNYWKETSNPHHLAPSDDKYIGSNDQANHQY
DISEFWKALDQNNMPAVSYLKAPGYQDGHGGYSNPLDEQEWLVNTINRIQ
QSKDWDSTAIIIIYDDSDGDYDHVYSPKSQFSDIKGRQGYGPRLPMLVIS
PYAKANYVDHSLLNQASVLKFIEYNWGIGSVSKYSNDKYSNNILNMFDFN
KEQKTLKLILDPKTGLVMHHHH

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 2d1g Chain B Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2d1g Structure of Francisella tularensis AcpA: prototype of a unique superfamily of acid phosphatases and phospholipases C
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): N44 H106 S175 D208 H287 H288 H350
• Binding residue (residue number reindexed from 1): N32 H94 S154 D187 H266 H267 H329
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0016788 hydrolase activity, acting on ester bonds

External links

• PDB: RCSB:2d1g, PDBe:2d1g, PDBj:2d1g
• PDBsum: 2d1g
• PubMed: 16899453
• UniProt: A0Q436