MolNFT v1 · #147952 · protein

Crystal structure of MMP9 in complex with inhibitor BE4.

6ESM: “Crystal structure of MMP9 in complex with inhibitor BE4.”. X-ray diffraction, 4 ligands (B9Z, PZE, CA). MolNFT v1 #147952 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6ESM
Type: protein
Length: 158 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P14780
Ligands: B9Z, PZE, CA, ZN

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	158	—	P14780

Ligands and binding sites

B9Z · (2~{S})-2-[2-[4-(4-methoxyphenyl) phenyl]sulfanylphenyl]pentanedioic acid · ligand · chains A
PZE · piperazine · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A
ZN · Zinc ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6ESM · Crystal structure of MMP9 in complex with inhibitor BE4. · the same entry in another collection · chain A against A, TM-score 1.00
P14780 · AlphaFold monomer V2.0 prediction for matrix metalloproteinase-9 (P14780) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P14780
Elsewhere: RCSB PDB 6ESM · PDBe 6ESM · UniProt P14780

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