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TYRB25,NMEPHEB26,LYSB28,PROB29-insulin analogue crystal structure

Analyse TYRB25,NMEPHEB26,LYSB28,PROB29-insulin analogue crystal structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ZS2
Type: protein
Length: 283 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Insulin a chain; Insulin B chain
UniProt: P01308
Ligands: IPH, ZN, CL
Pockets: 7 · best druggability 0.83

Structure

x-ray diffraction · 6 distinct chains · 71% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, G	Insulin a chain	protein	20	55% helix, 5% strand	P01308
B, H	Insulin B chain	protein	27	78% helix, 11% strand	P01308
C, E, I, K	Insulin a chain	protein	21	57% helix, 5% strand	P01308
D, F	Insulin B chain	protein	25	76% helix, 8% strand	P01308
J	Insulin B chain	protein	29	72% helix, 3% strand	P01308
L	Insulin B chain	protein	26	81% helix, 4% strand	P01308

Ligands and binding sites

IPH · Phenol · ligand · 6 copies · chains A, B, F, H, C, D, L, E, J, G, I, K
ZN · Zinc ion · metal · 2 copies · chains B, F, J, D, H, L
CL · Chloride ion · ion · 2 copies · chains B, F, J, D, H, L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	436	0.83	0.90	74	IPH
2	271	0.73	0.86	53	IPH
3	219	0.56	0.78	27	empty
4	79	0.55	0.86	21	IPH
5	86	0.40	0.77	20	CL

Interfaces

38 interfaces between chains.

J–L · 755 Å² buried · 12 hydrogen bonds · protein-protein
K–L · 660 Å² buried · 7 hydrogen bonds · protein-protein
I–J · 642 Å² buried · 2 hydrogen bonds · protein-protein
E–F · 576 Å² buried · 7 hydrogen bonds · protein-protein
F–H · 555 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 17 disulfide, 6 modified (disulfide, nonstandard).

Compared structures

3ZS2 · TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure · 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 P01308
Elsewhere: RCSB PDB 3ZS2 · PDBe 3ZS2 · UniProt P01308

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