Structure of PDB 3isz Chain B Binding Site BS01

Receptor Information

>3isz Chain B (length=366) Species: 71421 (Haemophilus influenzae Rd KW20)

MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLN
LWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAAD
MKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLM
ARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQPHLAENPI
HKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGVIPAELYIQFNLRYC
TEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIE
ETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDL
GKCGEIYHKMLVNLLD

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3isz Chain B Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3isz Structural basis for catalysis by the mono- and dimetalated forms of the dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H67 D100 E163
• Binding residue (residue number reindexed from 1): H67 D100 E163
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.18: succinyl-diaminopimelate desuccinylase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0009014 succinyl-diaminopimelate desuccinylase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0050897 cobalt ion binding

Biological Process

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

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3isz, PDBe:3isz, PDBj:3isz
• PDBsum: 3isz
• PubMed: 20138056
• UniProt: P44514|DAPE_HAEIN Succinyl-diaminopimelate desuccinylase (Gene Name=dapE)