MolNFT v1 · #124739 · protein

Mouse pgp 34 linker deleted mutant hg derivative

5KO2 · Multidrug resistance protein 1A: “Mouse pgp 34 linker deleted mutant hg derivative”. X-ray diffraction, 1 ligand (HG), 20 pockets (best druggability 0.84). MolNFT v1 #124739 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5KO2
Type: protein
Length: 2,369 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: HG
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1185	63% helix, 10% strand	P21447
B	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1184	64% helix, 10% strand	P21447

Ligands and binding sites

HG · Mercury (II) ion · metal · 14 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, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	987	0.84	0.85	95	empty
2	877	0.82	0.84	94	empty
3	867	0.75	0.79	81	empty
4	363	0.74	0.84	32	HG
5	315	0.68	0.82	40	HG

Interfaces

1 interface between chains.

A–B · 1644 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

5KO2 · Mouse pgp 34 linker deleted mutant Hg derivative · 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 5KO2 · PDBe 5KO2 · UniProt P21447

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