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Crystal structure of mouse csad in apo form

Analyse Crystal structure of mouse csad in apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7A0A
Type: protein
Length: 1,895 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cysteine sulfinic acid decarboxylase
EC: 4.1.1.29, 4.1.1.11
UniProt: Q9DBE0
Ligands: NA, SO4
Pockets: 18 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cysteine sulfinic acid decarboxylase (EC 4.1.1.29, 4.1.1.11)	protein	474	49% helix, 13% strand	Q9DBE0
B	Cysteine sulfinic acid decarboxylase (EC 4.1.1.29, 4.1.1.11)	protein	470	49% helix, 13% strand	Q9DBE0
C	Cysteine sulfinic acid decarboxylase (EC 4.1.1.29, 4.1.1.11)	protein	478	48% helix, 14% strand	Q9DBE0
D	Cysteine sulfinic acid decarboxylase (EC 4.1.1.29, 4.1.1.11)	protein	473	48% helix, 14% strand	Q9DBE0

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, C, D
SO4 · Sulfate ion · ion · chains A, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	771	0.79	0.83	73	empty
2	841	0.79	0.82	78	empty
3	738	0.78	0.82	63	SO4
4	703	0.75	0.81	69	empty
5	400	0.73	0.84	48	empty

Interfaces

5 interfaces between chains.

A–C · 6517 Å² buried · 70 hydrogen bonds · protein-protein
B–D · 6250 Å² buried · 72 hydrogen bonds · protein-protein
B–C · 264 Å² buried · 0 hydrogen bonds · protein-protein
C–D · 168 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 89 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7A0A · Crystal structure of mouse CSAD in apo form · the same entry in another collection · chain D against D, TM-score 1.00
Q9DBE0 · AlphaFold monomer V2.0 prediction for cysteine sulfinic acid decarboxylase (Q9DBE0) · a predicted model of the same protein · chain D 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 Q9DBE0
Elsewhere: RCSB PDB 7A0A · PDBe 7A0A · UniProt Q9DBE0

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