MolNFT v1 · #121462 · protein

Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group

5HWC · FK506-binding protein 1A: “Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group”. X-ray diffraction, 1 ligand (FK5), 1 pocket (best druggability 0.43). MolNFT v1 #121462 on GenesisL1: 3D structure…

PDB: 5HWC
Type: protein
Length: 113 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FK506-binding protein 1A
EC: 5.2.1.8
UniProt: Q4WLV6
Ligands: FK5
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	FK506-binding protein 1A (EC 5.2.1.8)	protein	113	11% helix, 39% strand	Q4WLV6

Ligands and binding sites

FK5 · 8-deethyl-8-[but-3-enyl]-ascomycin · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.43	0.79	12	empty

Compared structures

5HWC · Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group · the same entry in another collection · chain A against A, TM-score 1.00
Q4WLV6 · AlphaFold monomer V2.0 prediction for FK506-binding protein 1A (Q4WLV6) · a predicted model of the same protein · chain A 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 Q4WLV6
Elsewhere: RCSB PDB 5HWC · PDBe 5HWC · UniProt Q4WLV6

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