Structure of PDB 4tn3 Chain A Binding Site BS01

Receptor Information

>4tn3 Chain A (length=359) Species: 9544,10665

VDHCARHGEKLLLFCQEDSKVICWLCKDSQEHRGHHTFLMEEVAQEYHVK
LQTALEMLRQKQQEAEKLEADIREEKASWKIQIDYDKTNVSADFEQLREI
LDWEESNELQNLEKEEEDILKSLTKSETEMVQQTQYMRELISELEHRLQM
MDLLQGVDGIIKRIENMTLFRAPDLKGMLDMFRDAAAEESPVLLAMNIFE
MLRIDEGLRLKIYKNTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTN
GVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQ
MGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRT
GTWDAYKNL

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: 4tn3 Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4tn3 Structural studies of postentry restriction factors reveal antiparallel dimers that enable avid binding to the HIV-1 capsid lattice.
• Resolution: 3.1989 Å
• Binding residue (original residue number in PDB): C108 D111 H125 H128
• Binding residue (residue number reindexed from 1): C15 D18 H32 H35
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E314 N323
• Catalytic site (residue number reindexed from 1): E206 N215
• Enzyme Commision number: 3.2.1.17: lysozyme.
  5.2.1.8: peptidylprolyl isomerase.

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity
• GO:0008270 zinc ion binding
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0009253 peptidoglycan catabolic process
• GO:0016998 cell wall macromolecule catabolic process
• GO:0031640 killing of cells of another organism
• GO:0042742 defense response to bacterium
• GO:0044659 viral release from host cell by cytolysis

Cellular Component

• GO:0030430 host cell cytoplasm

External links

• PDB: RCSB:4tn3, PDBe:4tn3, PDBj:4tn3
• PDBsum: 4tn3
• PubMed: 24979782
• UniProt: G9MAP5;
  P00720|ENLYS_BPT4 Endolysin (Gene Name=E)