MolNFT v1 · #163523 · protein

Anabaena apo-C-terminal domain homolog of the orange carotenoid protein in native conditions

6S5L · ALL4940 protein: “Anabaena apo-C-terminal domain homolog of the orange carotenoid protein in native conditions”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #163523 on GenesisL1: 3D structure, binding sites and…

PDB: 6S5L
Type: protein
Length: 1,502 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALL4940 protein
UniProt: Q8YMJ3
Pockets: 20 · best druggability 0.70

Structure

x-ray diffraction · 12 distinct chains · 23% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALL4940 protein	protein	125	22% helix, 42% strand	Q8YMJ3
B	ALL4940 protein	protein	124	23% helix, 46% strand	Q8YMJ3
C	ALL4940 protein	protein	126	23% helix, 41% strand	Q8YMJ3
D	ALL4940 protein	protein	129	22% helix, 41% strand	Q8YMJ3
E	ALL4940 protein	protein	124	23% helix, 42% strand	Q8YMJ3
F	ALL4940 protein	protein	129	22% helix, 41% strand	Q8YMJ3
G	ALL4940 protein	protein	125	22% helix, 45% strand	Q8YMJ3
H	ALL4940 protein	protein	124	23% helix, 44% strand	Q8YMJ3
I	ALL4940 protein	protein	124	23% helix, 44% strand	Q8YMJ3
J	ALL4940 protein	protein	123	27% helix, 45% strand	Q8YMJ3
K	ALL4940 protein	protein	125	22% helix, 42% strand	Q8YMJ3
L	ALL4940 protein	protein	124	23% helix, 42% strand	Q8YMJ3

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	83	0.70	0.94	23	empty
2	64	0.70	0.95	17	empty
3	104	0.67	0.90	32	empty
4	232	0.66	0.83	26	empty
5	197	0.65	0.84	25	empty

Interfaces

13 interfaces between chains.

C–D · 967 Å² buried · 14 hydrogen bonds · protein-protein
A–E · 916 Å² buried · 8 hydrogen bonds · protein-protein
H–L · 845 Å² buried · 2 hydrogen bonds · protein-protein
A–J · 828 Å² buried · 9 hydrogen bonds · protein-protein
G–I · 824 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

6S5L · Anabaena Apo-C-Terminal Domain Homolog Of The Orange Carotenoid Protein In Native… · 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 Q8YMJ3
Elsewhere: RCSB PDB 6S5L · PDBe 6S5L · UniProt Q8YMJ3

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