MolNFT v1 · #12308 · protein

X-ray structure of nysgrc target T-45

1KCX · Dihydropyrimidinase related protein-1: “X-ray structure of nysgrc target T-45”. X-ray diffraction, 9 pockets (best druggability 0.85). MolNFT v1 #12308 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1KCX
Type: protein
Length: 952 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydropyrimidinase related protein-1
UniProt: P97427
Pockets: 9 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Dihydropyrimidinase related protein-1	protein	476	37% helix, 23% strand	P97427

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1094	0.85	0.87	106	empty
2	174	0.60	0.82	28	empty
3	185	0.57	0.81	30	empty
4	87	0.49	0.83	19	empty
5	92	0.46	0.80	18	empty

Interfaces

1 interface between chains.

A–B · 1275 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

1KCX · X-ray structure of NYSGRC target T-45 · the same entry in another collection · chain A against A, TM-score 1.00
P97427 · AlphaFold monomer V2.0 prediction for dihydropyrimidinase-related protein 1 (P97427) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P97427
Elsewhere: RCSB PDB 1KCX · PDBe 1KCX · UniProt P97427

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