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Crystal structure of ATPase-type hypb in the nucleotide free state

Analyse Crystal structure of ATPase-type hypb in the nucleotide free state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5AUQ
Type: protein
Length: 1,823 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog
UniProt: Q5JIH4
Pockets: 17 · best druggability 0.88

Structure

x-ray diffraction · 8 distinct chains · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	232	41% helix, 22% strand	Q5JIH4
B	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	227	40% helix, 22% strand	Q5JIH4
C	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	230	42% helix, 23% strand	Q5JIH4
D	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	231	40% helix, 23% strand	Q5JIH4
E	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	218	41% helix, 21% strand	Q5JIH4
F	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	225	40% helix, 24% strand	Q5JIH4
G	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	230	38% helix, 23% strand	Q5JIH4
H	ATPase involved in chromosome partitioning, PARA/MIND family, mrp homolog	protein	230	39% helix, 23% strand	Q5JIH4

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, D, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	852	0.88	0.91	111	empty
2	842	0.87	0.90	94	empty
3	861	0.87	0.89	97	empty
4	343	0.82	0.92	51	empty
5	514	0.80	0.86	62	empty

Interfaces

8 interfaces between chains.

A–H · 1199 Å² buried · 12 hydrogen bonds · protein-protein
C–G · 1137 Å² buried · 18 hydrogen bonds · protein-protein
D–F · 1136 Å² buried · 11 hydrogen bonds · protein-protein
B–E · 1042 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 563 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5AUQ · Crystal structure of ATPase-type HypB in the nucleotide free state · 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 Q5JIH4
Elsewhere: RCSB PDB 5AUQ · PDBe 5AUQ · UniProt Q5JIH4

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