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Crystal structure of mpacsin 3 F-bar domain mutant

Analyse Crystal structure of mpacsin 3 F-bar domain mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3SYV
Type: protein
Length: 2,028 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein kinase C and casein kinase II substrate protein 3
UniProt: Q99JB8
Pockets: 15 · best druggability 0.79

Structure

x-ray diffraction · 8 distinct chains · 82% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein kinase C and casein kinase II substrate protein 3	protein	249	84% helix, 1% strand	Q99JB8
B	Protein kinase C and casein kinase II substrate protein 3	protein	257	80% helix, 1% strand	Q99JB8
C	Protein kinase C and casein kinase II substrate protein 3	protein	257	81% helix, 1% strand	Q99JB8
D	Protein kinase C and casein kinase II substrate protein 3	protein	255	84% helix, 1% strand	Q99JB8
E	Protein kinase C and casein kinase II substrate protein 3	protein	254	80% helix, 1% strand	Q99JB8
F	Protein kinase C and casein kinase II substrate protein 3	protein	255	82% helix, 1% strand	Q99JB8
G	Protein kinase C and casein kinase II substrate protein 3	protein	254	80% helix, 0% strand	Q99JB8
H	Protein kinase C and casein kinase II substrate protein 3	protein	247	86% helix, 1% strand	Q99JB8

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	98	0.79	0.98	35	empty
2	77	0.75	0.98	27	empty
3	55	0.71	0.98	20	empty
4	112	0.55	0.84	22	empty
5	122	0.55	0.83	26	empty

Interfaces

4 interfaces between chains.

E–F · 3832 Å² buried · 34 hydrogen bonds · protein-protein
A–B · 3762 Å² buried · 36 hydrogen bonds · protein-protein
C–D · 3686 Å² buried · 39 hydrogen bonds · protein-protein
G–H · 3493 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

3SYV · Crystal structure of mPACSIN 3 F-BAR domain mutant · the same entry in another collection · chain H against H, TM-score 1.00
Q99JB8 · AlphaFold monomer V2.0 prediction for protein kinase C and casein kinase II substrate… · a predicted model of the same protein · chain H against A, TM-score 0.96

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 Q99JB8
Elsewhere: RCSB PDB 3SYV · PDBe 3SYV · UniProt Q99JB8

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