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Crystal structure of gdx-clo from small multidrug resistance family of transporters in low pH (protonated state)

Analyse Crystal structure of gdx-clo from small multidrug resistance family of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7SZT
Type: protein
Length: 769 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein, smr family; L10 monobody
UniProt: U2EQ00
Ligands: 9PD
Pockets: 6 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 23% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Multidrug resistance protein, smr family	protein	104	78% helix, 1% strand	U2EQ00
E	L10 monobody	protein	88	0% helix, 53% strand	—
F, G	L10 monobody	protein	89	0% helix, 57% strand	—
H	L10 monobody	protein	87	3% helix, 56% strand	—

Ligands and binding sites

9PD · Dodecyldimethylphosphine oxide · ligand · 2 copies · chains A, B, F

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	511	0.71	0.80	48	empty
2	526	0.68	0.78	45	empty
3	172	0.45	0.74	24	empty
4	57	0.41	0.81	14	empty
5	73	0.39	0.78	15	empty

Interfaces

11 interfaces between chains.

C–D · 1377 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1351 Å² buried · 13 hydrogen bonds · protein-protein
B–G · 385 Å² buried · 5 hydrogen bonds · protein-protein
D–H · 373 Å² buried · 6 hydrogen bonds · protein-protein
C–E · 345 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7SZT · Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in… · 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 U2EQ00
Elsewhere: RCSB PDB 7SZT · PDBe 7SZT · UniProt U2EQ00

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