MolNFT v1 · #143210 · protein

BIP-ATP2

6ASY · 78 kda glucose-regulated protein: “BIP-ATP2”. X-ray diffraction, 3 ligands (ATP, PO4, SO4), 20 pockets (best druggability 0.82). MolNFT v1 #143210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6ASY
Type: protein
Length: 1,212 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 78 kda glucose-regulated protein
UniProt: P11021
Ligands: ATP, PO4, SO4
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	78 kda glucose-regulated protein	protein	606	41% helix, 27% strand	P11021

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 10 copies · chains A, B
SO4 · Sulfate ion · ion · 8 copies · chains A, B
GOL · Glycerol · additive · 8 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	1121	0.82	0.83	84	GOL, SO4, PO4
2	330	0.76	0.88	50	GOL, ATP
3	274	0.76	0.89	43	ATP
4	204	0.66	0.85	31	PO4
5	124	0.63	0.87	24	PO4

Interfaces

1 interface between chains.

A–B · 634 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6ASY · BiP-ATP2 · the same entry in another collection · chain A against A, TM-score 1.00
P11021 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum chaperone bip (P11021) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P11021
Elsewhere: RCSB PDB 6ASY · PDBe 6ASY · UniProt P11021

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