MolNFT v1 · #124678 · protein

Human histidine triad nucleotide binding protein 1 (HHINT1) H112N mutant ara-a nucleoside phosphoramidate substrate complex

5KM6 · Histidine triad nucleotide-binding protein 1: “Human histidine triad nucleotide binding protein 1 (HHINT1) H112N mutant ara-a nucleoside phosphoramidate…”. X-ray diffraction, 1 ligand (6US), 2 pockets (best druggability 0.36).…

PDB: 5KM6
Type: protein
Length: 111 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histidine triad nucleotide-binding protein 1
EC: 3.-.-.-
UniProt: P49773
Ligands: 6US
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histidine triad nucleotide-binding protein 1 (EC 3.-.-.-)	protein	111	30% helix, 23% strand	P49773

Ligands and binding sites

6US · [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	79	0.36	0.76	20	6US
2	59	0.28	0.74	15	empty

Compared structures

5KM6 · Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside… · 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 P49773
Elsewhere: RCSB PDB 5KM6 · PDBe 5KM6 · UniProt P49773

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