MolNFT v1 · #29374 · protein

Crystal structure of mlc from escherichia COLI

1Z6R · Mlc protein: “Crystal structure of mlc from escherichia COLI”. X-ray diffraction, 1 ligand (ZN), 17 pockets (best druggability 0.72). MolNFT v1 #29374 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1Z6R
Type: protein
Length: 1,528 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mlc protein
UniProt: P50456
Ligands: ZN
Pockets: 17 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Mlc protein	protein	382	44% helix, 21% strand	P50456

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	461	0.72	0.82	72	empty
2	443	0.67	0.79	60	empty
3	459	0.65	0.78	68	empty
4	375	0.64	0.78	45	empty
5	406	0.62	0.77	49	empty

Interfaces

4 interfaces between chains.

C–D · 1762 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 1414 Å² buried · 24 hydrogen bonds · protein-protein
B–C · 634 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 596 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 modified (engineered).

Compared structures

1Z6R · Crystal structure of Mlc from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
P50456 · AlphaFold monomer V2.0 prediction for protein mlc (P50456) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P50456
Elsewhere: RCSB PDB 1Z6R · PDBe 1Z6R · UniProt P50456

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