MolNFT v1 · #165373 · protein

Haddock model of ndm-1/QUERCETIN complex

6TTA · Metallo beta lactamase ndm-1: “Haddock model of ndm-1/QUERCETIN complex”. Solution nmr, 2 ligands (QUE, ZN), 1 pocket (best druggability 0.32). MolNFT v1 #165373 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TTA
Type: protein
Length: 227 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metallo beta lactamase ndm-1
UniProt: E9NWK5
Ligands: QUE, ZN
Pockets: 1 · best druggability 0.32

Structure

solution nmr · 1 distinct chain · 25% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Metallo beta lactamase ndm-1	protein	227	25% helix, 31% strand	E9NWK5

Ligands and binding sites

QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · 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.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	72	0.32	0.75	17	QUE

Compared structures

6TTA · Haddock model of NDM-1/quercetin complex · the same entry in another collection · chain A against A, TM-score 1.00

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 E9NWK5
Elsewhere: RCSB PDB 6TTA · PDBe 6TTA · UniProt E9NWK5

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