MolNFT v1 · #103515 · protein

Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex

4PJ1 · 60 kda heat shock protein, mitochondrial: “Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex”. X-ray diffraction, 2 ligands (ADP, MG), 20 pockets (best druggability 0.81). MolNFT v1 #103515 on…

PDB: 4PJ1
Type: protein
Length: 8,783 residues
Chains: 28
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 60 kda heat shock protein, mitochondrial; 10 kda heat shock protein, mitochondrial
UniProt: P10809, P61604
Ligands: ADP, MG
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 26% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N	60 kda heat shock protein, mitochondrial	protein	526	51% helix, 18% strand	P10809
O, Q, R, S, T, V, W, X, Y, 1	10 kda heat shock protein, mitochondrial	protein	100	0% helix, 40% strand	P61604
P	10 kda heat shock protein, mitochondrial	protein	105	0% helix, 38% strand	P61604
U	10 kda heat shock protein, mitochondrial	protein	102	0% helix, 45% strand	P61604
Z	10 kda heat shock protein, mitochondrial	protein	108	0% helix, 35% strand	P61604
2	10 kda heat shock protein, mitochondrial	protein	104	0% helix, 38% strand	P61604

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
MG · Magnesium ion · metal · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N

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

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	726	0.81	0.85	70	ADP, MG
2	392	0.81	0.90	54	ADP, MG
3	699	0.81	0.85	69	ADP, MG
4	437	0.80	0.88	61	ADP, MG
5	462	0.80	0.87	56	ADP, MG

Interfaces

67 interfaces between chains.

B–C · 2278 Å² buried · 29 hydrogen bonds · protein-protein
D–E · 2025 Å² buried · 28 hydrogen bonds · protein-protein
A–G · 1975 Å² buried · 25 hydrogen bonds · protein-protein
I–J · 1971 Å² buried · 25 hydrogen bonds · protein-protein
K–L · 1959 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

4PJ1 · Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex · the same entry in another collection · chain K against K, 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 P10809
Every structure of UniProt P61604
Elsewhere: RCSB PDB 4PJ1 · PDBe 4PJ1 · UniProt P10809 · UniProt P61604

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