MolNFT v1 · #126698 · protein

Human insulin in complex with serotonin

5MAM · Insulin a chain: “Human insulin in complex with serotonin”. X-ray diffraction, 3 ligands (SRO, ZN, CL), 10 pockets (best druggability 0.85). MolNFT v1 #126698 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MAM
Type: protein
Length: 765 residues
Chains: 32
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Insulin a chain; Insulin B chain
UniProt: P01308
Ligands: SRO, ZN, CL
Pockets: 10 · best druggability 0.85

Structure

x-ray diffraction · 12 distinct chains · 60% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Insulin a chain	protein	20	65% helix, 5% strand	P01308
B, Z	Insulin B chain	protein	26	42% helix, 12% strand	P01308
C, G, I, K, M, O, Q, S, U, W, Y, 0, 2, 4	Insulin a chain	protein	21	57% helix, 5% strand	P01308
D	Insulin B chain	protein	28	71% helix, 11% strand	P01308
F, N, T, V	Insulin B chain	protein	25	44% helix, 12% strand	P01308
H, J, R	Insulin B chain	protein	29	72% helix, 10% strand	P01308
L	Insulin B chain	protein	26	42% helix, 12% strand	P01308
P	Insulin B chain	protein	30	70% helix, 10% strand	P01308
X	Insulin B chain	protein	29	69% helix, 10% strand	P01308
1	Insulin B chain	protein	27	74% helix, 11% strand	P01308
3	Insulin B chain	protein	24	46% helix, 13% strand	P01308
5	Insulin B chain	protein	28	61% helix, 11% strand	P01308

Ligands and binding sites

SRO · Serotonin · ligand · 14 copies · chains C, D, E, F, O, Y, G, H, J, L, I, N, P, K, M, Q, R, Z, 1, T, W, X, V, 0, 2, 3, 5
ZN · Zinc ion · metal · 8 copies · chains B, D, F, L, N, H, J, P, R, X, 1, T, V, Z, 3, 5
CL · Chloride ion · ion · 8 copies · chains B, D, F, L, N, H, J, P, T, V, Z, R, X, 1, 3, 5

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

Pockets

10 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	1117	0.85	0.86	128	SRO
2	810	0.82	0.84	100	SRO
3	135	0.74	0.93	25	SRO
4	110	0.50	0.81	24	CL
5	63	0.46	0.84	18	ZN, CL

Interfaces

94 interfaces between chains.

U–V · 682 Å² buried · 5 hydrogen bonds · protein-protein
Y–Z · 672 Å² buried · 5 hydrogen bonds · protein-protein
M–N · 659 Å² buried · 5 hydrogen bonds · protein-protein
K–L · 653 Å² buried · 5 hydrogen bonds · protein-protein
N–P · 643 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 disulfide (disulfide).

Compared structures

5MAM · Human insulin in complex with serotonin · the same entry in another collection · chain B against B, 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 5MAM · PDBe 5MAM · UniProt P01308

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