MolNFT v1 · #114218 · protein

Structure of full-length MOB1B

5B5V · Mob kinase activator 1B: “Structure of full-length MOB1B”. X-ray diffraction, 2 ligands (ZN, CL), 14 pockets (best druggability 0.75). MolNFT v1 #114218 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5B5V
Type: protein
Length: 752 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mob kinase activator 1B
UniProt: Q8BPB0
Ligands: ZN, CL
Pockets: 14 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 63% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Mob kinase activator 1B	protein	187	63% helix, 4% strand	Q8BPB0
B	Mob kinase activator 1B	protein	183	65% helix, 2% strand	Q8BPB0
D	Mob kinase activator 1B	protein	179	63% helix, 2% strand	Q8BPB0
E, F	Mob kinase activator 1B	protein	8	0% helix, 63% strand	Q8BPB0

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
CL · Chloride ion · ion · 2 copies · chains A, E, C, F

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

Pockets

14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1172	0.75	0.78	79	CL
2	373	0.60	0.77	41	empty
3	101	0.43	0.78	19	empty
4	141	0.43	0.75	19	empty
5	103	0.39	0.76	16	empty

Interfaces

7 interfaces between chains.

B–D · 1152 Å² buried · 27 hydrogen bonds · protein-protein
A–C · 1121 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 636 Å² buried · 12 hydrogen bonds · protein-protein
C–F · 585 Å² buried · 12 hydrogen bonds · protein-protein
A–E · 576 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5B5V · Structure of full-length MOB1b · the same entry in another collection · chain F against F, TM-score 1.00
Q8BPB0 · AlphaFold monomer V2.0 prediction for mob kinase activator 1B (Q8BPB0) · a predicted model of the same protein · chain D 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 Q8BPB0
Elsewhere: RCSB PDB 5B5V · PDBe 5B5V · UniProt Q8BPB0

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