MolNFT v1 · #117755 · protein

Crystal structure of the drosophila CG3822 KAIR1D ligand binding domain complex with D-AP5

5EHS · RE06730P,GH17276: “Crystal structure of the drosophila CG3822 KAIR1D ligand binding domain complex with D-AP5”. X-ray diffraction, 4 pockets (best druggability 0.83). MolNFT v1 #117755 on GenesisL1: 3D structure, binding sites and…

PDB: 5EHS
Type: protein
Length: 522 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RE06730P,GH17276
UniProt: Q8MS48, B4JUF1
Pockets: 4 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RE06730P,GH17276	protein	262	37% helix, 21% strand	Q8MS48, B4JUF1
B	RE06730P,GH17276	protein	260	37% helix, 22% strand	Q8MS48, B4JUF1

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1013	0.83	0.84	112	empty
2	71	0.57	0.89	23	empty
3	130	0.42	0.76	21	empty
4	79	0.36	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 1175 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (nonstandard).

Compared structures

5EHS · Crystal structure of the Drosophila CG3822 KaiR1D ligand binding domain complex with D-AP5 · 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 Q8MS48
Every structure of UniProt B4JUF1
Elsewhere: RCSB PDB 5EHS · PDBe 5EHS · UniProt Q8MS48 · UniProt B4JUF1

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