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Mouse pgp 34 linker deleted bound with ATP

Analyse Mouse pgp 34 linker deleted bound with ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5KOY
Type: protein
Length: 2,363 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein 1A
EC: 3.6.3.44
UniProt: P21447
Ligands: ATP
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1182	64% helix, 10% strand	P21447
B	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1181	64% helix, 10% strand	P21447

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B

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

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	1057	0.84	0.84	94	empty
2	987	0.83	0.84	106	empty
3	1160	0.74	0.77	88	empty
4	164	0.74	0.91	32	empty
5	311	0.73	0.85	36	empty

Interfaces

1 interface between chains.

A–B · 1682 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

5KOY · Mouse pgp 34 linker deleted bound with ATP · 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 P21447
Elsewhere: RCSB PDB 5KOY · PDBe 5KOY · UniProt P21447

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