MolNFT v1 · #54433 · protein

Refined structure of yeast F1C10 ATPase complex to 3 a resolution

2XOK · ATP synthase subunit alpha, mitochondrial: “Refined structure of yeast F1C10 ATPase complex to 3 a resolution”. X-ray diffraction, 2 ligands (ANP, MG), 20 pockets (best druggability 0.86). MolNFT v1 #54433 on GenesisL1: 3D…

PDB: 2XOK
Type: protein
Length: 4,014 residues
Chains: 19
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP synthase subunit alpha, mitochondrial; ATP synthase subunit beta, mitochondrial; ATP…
EC: 3.6.1.34
UniProt: P07251, P00830, P38077, Q12165, Q2XN67, P61829
Ligands: ANP, MG
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 15 distinct chains · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP synthase subunit alpha, mitochondrial	protein	482	41% helix, 23% strand	P07251
B	ATP synthase subunit alpha, mitochondrial	protein	483	37% helix, 20% strand	P07251
C	ATP synthase subunit alpha, mitochondrial	protein	484	41% helix, 20% strand	P07251
D	ATP synthase subunit beta, mitochondrial (EC 3.6.1.34)	protein	470	38% helix, 21% strand	P00830
E	ATP synthase subunit beta, mitochondrial (EC 3.6.1.34)	protein	468	36% helix, 20% strand	P00830
F	ATP synthase subunit beta, mitochondrial (EC 3.6.1.34)	protein	469	37% helix, 20% strand	P00830
G	ATP synthase subunit gamma, mitochondrial	protein	265	60% helix, 12% strand	P38077
H	ATP synthase	protein	119	24% helix, 27% strand	Q12165
I	ATP synthase catalytic sector F1 epsilon subunit	protein	48	17% helix, 15% strand	Q2XN67
K	ATP synthase subunit 9, mitochondrial	protein	72	76% helix, 0% strand	P61829
L	ATP synthase subunit 9, mitochondrial	protein	71	90% helix, 0% strand	P61829
M, N	ATP synthase subunit 9, mitochondrial	protein	72	81% helix, 0% strand	P61829
O, R, S	ATP synthase subunit 9, mitochondrial	protein	73	88% helix, 0% strand	P61829
P, Q	ATP synthase subunit 9, mitochondrial	protein	74	88% helix, 0% strand	P61829
T	ATP synthase subunit 9, mitochondrial	protein	72	89% helix, 0% strand	P61829

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 5 copies · chains A, D, B, E, C, F
MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, F

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	673	0.86	0.91	81	ANP, MG
2	1009	0.84	0.85	97	ANP, MG
3	366	0.84	0.93	70	empty
4	763	0.83	0.86	104	ANP, MG
5	601	0.83	0.88	81	empty

Interfaces

33 interfaces between chains.

B–F · 2757 Å² buried · 39 hydrogen bonds · protein-protein
A–D · 2385 Å² buried · 31 hydrogen bonds · protein-protein
C–F · 2335 Å² buried · 29 hydrogen bonds · protein-protein
C–D · 2178 Å² buried · 26 hydrogen bonds · protein-protein
A–E · 1886 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

2XOK · Refined structure of yeast F1c10 ATPase complex to 3 A resolution · 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 P07251
Every structure of UniProt P00830
Every structure of UniProt P38077
Every structure of UniProt Q12165
Every structure of UniProt Q2XN67
Every structure of UniProt P61829
Elsewhere: RCSB PDB 2XOK · PDBe 2XOK · UniProt P07251 · UniProt P00830 · UniProt P38077 · UniProt Q12165 · UniProt Q2XN67 · UniProt P61829

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.