MolNFT v1 · #178873 · protein

Crystal structure of bbki complexed with human kallikrein 4

7JOE · Kallikrein 4 (prostase, enamel matrix, prostate), isoform…: “Crystal structure of bbki complexed with human kallikrein 4”. X-ray diffraction, 3 pockets (best druggability 0.50). MolNFT v1 #178873 on GenesisL1: 3D structure, binding…

PDB: 7JOE
Type: protein
Length: 388 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A; Kunitz-type inihibitor
UniProt: A0A0C4DFQ5, Q6VEQ7
Pockets: 3 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A	protein	223	10% helix, 36% strand	A0A0C4DFQ5
I	Kunitz-type inihibitor	protein	165	2% helix, 47% strand	Q6VEQ7

Pockets

3 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	117	0.50	0.81	21	empty
2	88	0.47	0.81	21	empty
3	146	0.44	0.76	26	empty

Interfaces

1 interface between chains.

E–I · 989 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

7JOE · Crystal structure of BbKI complexed with Human Kallikrein 4 · the same entry in another collection · chain E against E, 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 A0A0C4DFQ5
Every structure of UniProt Q6VEQ7
Elsewhere: RCSB PDB 7JOE · PDBe 7JOE · UniProt A0A0C4DFQ5 · UniProt Q6VEQ7

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