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Crystal structure of CMABCB1 in lipidic mesophase revealed by lcp-sfx

Analyse Crystal structure of CMABCB1 in lipidic mesophase revealed by lcp-sfx in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7FC9
Type
protein
Length
584 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable ATP-dependent transporter YCF16
UniProt
M1VAN7
Ligands
ANP, ZN, MG, CL
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable ATP-dependent transporter YCF16protein58463% helix, 10% strandM1VAN7

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • ZN · Zinc ion · metal · 9 copies · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11470.680.8925empty
22440.630.8134empty
33890.590.7545ACT
41270.470.7717empty
51200.460.7824ZN

Compared structures

  • 7FC9 · Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX · the same entry in another collection · chain A against A, TM-score 1.00

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