MolNFT v1 · #143524 · protein

Crystal structure of human STAC2 tandem SH3 domains (296-411) in complex with a CAV1.1 II-III loop peptide

6B27 · SH3 and cysteine-rich domain-containing protein 2: “Crystal structure of human STAC2 tandem SH3 domains (296-411) in complex with a CAV1.1 II-III loop peptide”. X-ray diffraction, 2 ligands (SO4, CL), 11 pockets (best druggability…

PDB: 6B27
Type: protein
Length: 744 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SH3 and cysteine-rich domain-containing protein 2; Voltage-dependent L-type calcium…
UniProt: Q6ZMT1, Q13698
Ligands: SO4, CL
Pockets: 11 · best druggability 0.61

Structure

x-ray diffraction · 9 distinct chains · 5% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	SH3 and cysteine-rich domain-containing protein 2	protein	118	5% helix, 46% strand	Q6ZMT1
B	SH3 and cysteine-rich domain-containing protein 2	protein	114	5% helix, 49% strand	Q6ZMT1
C	SH3 and cysteine-rich domain-containing protein 2	protein	113	8% helix, 50% strand	Q6ZMT1
E	SH3 and cysteine-rich domain-containing protein 2	protein	108	6% helix, 47% strand	Q6ZMT1
F	SH3 and cysteine-rich domain-containing protein 2	protein	112	5% helix, 49% strand	Q6ZMT1
G, J, K	Voltage-dependent L-type calcium channel subunit alpha-1S	protein	10	0% helix, 0% strand	Q13698
H	Voltage-dependent L-type calcium channel subunit alpha-1S	protein	11	0% helix, 0% strand	Q13698
I	Voltage-dependent L-type calcium channel subunit alpha-1S	protein	11	0% helix, 0% strand	Q13698
L	Voltage-dependent L-type calcium channel subunit alpha-1S	protein	9	0% helix, 0% strand	Q13698

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A, D, B, E, C, F
CL · Chloride ion · ion · 2 copies · chains E

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

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.61	0.93	17	empty
2	487	0.59	0.74	66	SO4
3	130	0.51	0.80	28	empty
4	88	0.45	0.80	24	empty
5	52	0.38	0.81	21	empty

Interfaces

13 interfaces between chains.

A–G · 570 Å² buried · 6 hydrogen bonds · protein-protein
E–K · 550 Å² buried · 5 hydrogen bonds · protein-protein
B–H · 515 Å² buried · 7 hydrogen bonds · protein-protein
D–J · 513 Å² buried · 6 hydrogen bonds · protein-protein
C–F · 510 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6B27 · Crystal structure of human STAC2 Tandem SH3 Domains (296-411) in complex with a CaV1.1… · the same entry in another collection · chain L against L, 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 Q6ZMT1
Every structure of UniProt Q13698
Elsewhere: RCSB PDB 6B27 · PDBe 6B27 · UniProt Q6ZMT1 · UniProt Q13698

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