MolNFT v1 · #95125 · protein

Crystal structure of kirola (act D 11) from crystal soaked with 2- aminopurine

4IH2: “Crystal structure of kirola (act D 11) from crystal soaked with 2- aminopurine”. X-ray diffraction, 2 ligands (UNL, CL), 2 pockets (best druggability 0.82). MolNFT v1 #95125 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4IH2
Type: protein
Length: 148 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kirola
UniProt: P85524
Ligands: UNL, CL
Pockets: 2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kirola	protein	148	24% helix, 47% strand	P85524

Ligands and binding sites

UNL · Unknown ligand · ligand · chains A
CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	122	0.82	0.98	18	UNL
2	88	0.41	0.78	15	empty

Compared structures

4IH2 · Crystal structure of kirola (Act d 11) from crystal soaked with 2-aminopurine · the same entry in another collection · chain A against A, TM-score 1.00
P85524 · AlphaFold monomer V2.0 prediction for kirola (P85524) · a predicted model of the same protein · chain A 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 P85524
Elsewhere: RCSB PDB 4IH2 · PDBe 4IH2 · UniProt P85524

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