MolNFT v1 · #118989 · protein

Bovine mitochondrial ATP synthase state 3B

5FIL · ATP synthase subunit alpha, mitochondrial: “Bovine mitochondrial ATP synthase state 3B”. Electron microscopy, 20 pockets (best druggability 0.81). MolNFT v1 #118989 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5FIL
Type: protein
Length: 4,638 residues
Chains: 22
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP synthase subunit alpha, mitochondrial; ATP synthase subunit beta, mitochondrial; ATP…
EC: 3.6.3.14
UniProt: P19483, P00829, P05631, P05630, P05632, P32876, P13621, P13619, P13620, P02721, P00847
Pockets: 20 · best druggability 0.81

Structure

electron microscopy · 14 distinct chains · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP synthase subunit alpha, mitochondrial	protein	509	42% helix, 21% strand	P19483
B	ATP synthase subunit alpha, mitochondrial	protein	480	41% helix, 21% strand	P19483
C	ATP synthase subunit alpha, mitochondrial	protein	487	40% helix, 19% strand	P19483
D	ATP synthase subunit beta, mitochondrial (EC 3.6.3.14)	protein	467	37% helix, 21% strand	P00829
E, F	ATP synthase subunit beta, mitochondrial (EC 3.6.3.14)	protein	466	38% helix, 23% strand	P00829
G	ATP synthase subunit gamma, mitochondrial	protein	264	52% helix, 11% strand	P05631
H	ATP synthase subunit delta, mitochondrial	protein	131	29% helix, 41% strand	P05630
I	ATP synthase subunit epsilon, mitochondrial	protein	47	43% helix, 4% strand	P05632
J, K, L, M, N, O, P, Q	ATP synthase F(0) complex subunit C1, mitochondrial	protein	72	67% helix, 0% strand	P32876
S	ATP synthase subunit O, mitochondrial	protein	167	39% helix, 1% strand	P13621
T	ATP synthase F(0) complex subunit B1, mitochondrial	protein	174	93% helix, 0% strand	P13619
U	ATP synthase subunit D, mitochondrial	protein	121	69% helix, 0% strand	P13620
V	ATP synthase-coupling factor 6, mitochondrial	protein	66	48% helix, 0% strand	P02721
W	ATP synthase subunit beta, mitochondrial	protein	217	78% helix, 0% strand	P00847

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	1028	0.81	0.83	145	empty
2	1037	0.78	0.80	158	empty
3	1106	0.77	0.80	167	empty
4	274	0.76	0.90	57	empty
5	1184	0.76	0.79	85	empty

Interfaces

36 interfaces between chains.

T–U · 643 Å² buried · 9 hydrogen bonds · protein-protein
L–M · 550 Å² buried · 5 hydrogen bonds · protein-protein
J–Q · 531 Å² buried · 5 hydrogen bonds · protein-protein
P–Q · 526 Å² buried · 4 hydrogen bonds · protein-protein
K–L · 504 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5FIL · Bovine mitochondrial ATP synthase state 3b · 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 P19483
Every structure of UniProt P00829
Every structure of UniProt P05631
Every structure of UniProt P05630
Every structure of UniProt P05632
Every structure of UniProt P32876
Every structure of UniProt P13621
Every structure of UniProt P13619
Every structure of UniProt P13620
Every structure of UniProt P02721
Every structure of UniProt P00847
Elsewhere: RCSB PDB 5FIL · PDBe 5FIL · UniProt P19483 · UniProt P00829 · UniProt P05631 · UniProt P05630 · UniProt P05632 · UniProt P32876 · UniProt P13621 · UniProt P13619 · UniProt P13620 · UniProt P02721 · UniProt P00847

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