MolNFT v1 · #543 · protein

GTP cyclohydrolase I (C110S mutant) in complex with GTP

1A9C: “GTP cyclohydrolase I (C110S mutant) in complex with GTP”. X-ray diffraction, 1 ligand (GTP), 20 pockets (best druggability 0.81). MolNFT v1 #543 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1A9C
Type: protein
Length: 3,315 residues
Chains: 15
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTP cyclohydrolase I
EC: 3.5.4.16
UniProt: P0A6T5
Ligands: GTP
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O	GTP cyclohydrolase I (EC 3.5.4.16)	protein	221	44% helix, 21% strand	P0A6T5

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 15 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	795	0.81	0.84	79	empty
2	616	0.78	0.84	56	empty
3	144	0.69	0.89	21	empty
4	174	0.69	0.88	24	empty
5	151	0.68	0.88	23	empty

Interfaces

16 interfaces between chains.

G–H · 1310 Å² buried · 29 hydrogen bonds · protein-protein
K–O · 1308 Å² buried · 25 hydrogen bonds · protein-protein
M–N · 1303 Å² buried · 27 hydrogen bonds · protein-protein
D–E · 1301 Å² buried · 27 hydrogen bonds · protein-protein
K–L · 1299 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

1A9C · GTP cyclohydrolase I (C110S mutant) in complex with GTP · the same entry in another collection · chain N against N, 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 P0A6T5
Elsewhere: RCSB PDB 1A9C · PDBe 1A9C · UniProt P0A6T5

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