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

Analyse Anabaena apo-C-terminal domain homolog of the orange carotenoid protein in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AALL4940 proteinprotein12522% helix, 42% strandQ8YMJ3
BALL4940 proteinprotein12423% helix, 46% strandQ8YMJ3
CALL4940 proteinprotein12623% helix, 41% strandQ8YMJ3
DALL4940 proteinprotein12922% helix, 41% strandQ8YMJ3
EALL4940 proteinprotein12423% helix, 42% strandQ8YMJ3
FALL4940 proteinprotein12922% helix, 41% strandQ8YMJ3
GALL4940 proteinprotein12522% helix, 45% strandQ8YMJ3
HALL4940 proteinprotein12423% helix, 44% strandQ8YMJ3
IALL4940 proteinprotein12423% helix, 44% strandQ8YMJ3
JALL4940 proteinprotein12327% helix, 45% strandQ8YMJ3
KALL4940 proteinprotein12522% helix, 42% strandQ8YMJ3
LALL4940 proteinprotein12423% helix, 42% strandQ8YMJ3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.700.9423empty
2640.700.9517empty
31040.670.9032empty
42320.660.8326empty
51970.650.8425empty

Interfaces

13 interfaces between chains.

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

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