MolNFT v1 · #58026 · protein

Crystal structure of human crhsp-24

3AQQ · Calcium-regulated heat stable protein 1: “Crystal structure of human crhsp-24”. X-ray diffraction, 2 pockets (best druggability 0.60). MolNFT v1 #58026 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3AQQ
Type: protein
Length: 393 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calcium-regulated heat stable protein 1
UniProt: Q9Y2V2
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calcium-regulated heat stable protein 1	protein	99	12% helix, 41% strand	Q9Y2V2
C	Calcium-regulated heat stable protein 1	protein	97	11% helix, 42% strand	Q9Y2V2
B	Calcium-regulated heat stable protein 1	protein	99	11% helix, 37% strand	Q9Y2V2
D	Calcium-regulated heat stable protein 1	protein	98	12% helix, 43% strand	Q9Y2V2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	364	0.60	0.76	44	empty
2	93	0.42	0.78	20	empty

Interfaces

4 interfaces between chains.

A–B · 1096 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 1081 Å² buried · 22 hydrogen bonds · protein-protein
C–B · 605 Å² buried · 9 hydrogen bonds · protein-protein
B–D · 368 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3AQQ · Crystal structure of human CRHSP-24 · the same entry in another collection · chain D against D, TM-score 1.00
Q9Y2V2 · AlphaFold monomer V2.0 prediction for calcium-regulated heat-stable protein 1 (Q9Y2V2) · a predicted model of the same protein · chain D against A, TM-score 0.98

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 Q9Y2V2
Elsewhere: RCSB PDB 3AQQ · PDBe 3AQQ · UniProt Q9Y2V2

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