MolNFT v1 · #122996 · protein

Structure of disulfide crosslinked a. fumigatus FKBP12(V91C)

5J6E · FK506-binding protein 1A: “Structure of disulfide crosslinked a. fumigatus FKBP12(V91C)”. X-ray diffraction, 4 pockets (best druggability 0.45). MolNFT v1 #122996 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5J6E
Type: protein
Length: 222 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FK506-binding protein 1A
EC: 5.2.1.8
UniProt: Q4WLV6
Pockets: 4 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	FK506-binding protein 1A (EC 5.2.1.8)	protein	111	17% helix, 36% strand	Q4WLV6

Pockets

4 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	71	0.45	0.81	14	empty
2	57	0.39	0.79	17	empty
3	78	0.34	0.75	20	empty
4	58	0.32	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 348 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

5J6E · Structure of disulfide crosslinked A. fumigatus FKBP12(V91C) · 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 B 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 5J6E · PDBe 5J6E · UniProt Q4WLV6

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