MolNFT v1 · #125114 · protein

Crystal structure of near full-length hexameric mycobacterium tuberculosis proteasomal ATPase mpa in apo form

5KZF · Proteasome-associated ATPase: “Crystal structure of near full-length hexameric mycobacterium tuberculosis proteasomal ATPase mpa in apo form”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #125114 on GenesisL1…

PDB: 5KZF
Type: protein
Length: 5,680 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proteasome-associated ATPase
UniProt: A5U4E1
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 12 distinct chains · 32% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proteasome-associated ATPase	protein	480	31% helix, 23% strand	A5U4E1
B	Proteasome-associated ATPase	protein	475	33% helix, 23% strand	A5U4E1
C	Proteasome-associated ATPase	protein	472	33% helix, 21% strand	A5U4E1
D	Proteasome-associated ATPase	protein	460	33% helix, 22% strand	A5U4E1
E	Proteasome-associated ATPase	protein	461	32% helix, 22% strand	A5U4E1
F	Proteasome-associated ATPase	protein	460	31% helix, 23% strand	A5U4E1
G	Proteasome-associated ATPase	protein	461	31% helix, 22% strand	A5U4E1
H	Proteasome-associated ATPase	protein	478	33% helix, 23% strand	A5U4E1
I	Proteasome-associated ATPase	protein	478	35% helix, 22% strand	A5U4E1
J	Proteasome-associated ATPase	protein	484	31% helix, 23% strand	A5U4E1
K	Proteasome-associated ATPase	protein	498	32% helix, 23% strand	A5U4E1
L	Proteasome-associated ATPase	protein	473	31% helix, 22% strand	A5U4E1

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1187	0.86	0.87	136	empty
2	961	0.85	0.86	105	empty
3	1026	0.84	0.85	110	empty
4	991	0.84	0.85	94	empty
5	734	0.84	0.87	89	empty

Interfaces

16 interfaces between chains.

C–D · 2913 Å² buried · 39 hydrogen bonds · protein-protein
D–E · 2880 Å² buried · 39 hydrogen bonds · protein-protein
G–H · 2863 Å² buried · 33 hydrogen bonds · protein-protein
B–C · 2852 Å² buried · 39 hydrogen bonds · protein-protein
J–K · 2845 Å² buried · 40 hydrogen bonds · protein-protein

Compared structures

5KZF · Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal… · the same entry in another collection · chain L against L, 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 A5U4E1
Elsewhere: RCSB PDB 5KZF · PDBe 5KZF · UniProt A5U4E1

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