MolNFT v1 · #27115 · protein

Crystal structure of the mutl C-terminal domain

1X9Z · DNA mismatch repair protein mutl: “Crystal structure of the mutl C-terminal domain”. X-ray diffraction, 2 ligands (NA, CL), 6 pockets (best druggability 0.41). MolNFT v1 #27115 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1X9Z
Type: protein
Length: 364 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA mismatch repair protein mutl
UniProt: P23367
Ligands: NA, CL
Pockets: 6 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA mismatch repair protein mutl	protein	182	46% helix, 25% strand	P23367
B	DNA mismatch repair protein mutl	protein	182	45% helix, 24% strand	P23367

Ligands and binding sites

NA · Sodium ion · metal · chains A, B
CL · Chloride ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A, B
IPA · Isopropyl alcohol · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	103	0.41	0.77	18	IPA
2	145	0.40	0.73	19	empty
3	50	0.38	0.81	23	empty
4	78	0.37	0.77	14	empty
5	83	0.34	0.74	11	empty

Interfaces

1 interface between chains.

A–B · 814 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

1X9Z · Crystal structure of the MutL C-terminal domain · the same entry in another collection · chain A against A, TM-score 1.00
P23367 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein mutl (P23367) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P23367
Elsewhere: RCSB PDB 1X9Z · PDBe 1X9Z · UniProt P23367

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