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Calcium bound structure of alpha-11 giardin

Analyse Calcium bound structure of alpha-11 giardin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2IIC
Type: protein
Length: 1,208 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-11 giardin
UniProt: Q4VPP2
Ligands: CA
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Alpha-11 giardin	protein	302	69% helix, 0% strand	Q4VPP2

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, D, B, C

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

Pockets

20 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	1084	0.72	0.76	91	empty
2	353	0.60	0.77	42	empty
3	183	0.56	0.81	27	empty
4	115	0.55	0.84	18	empty
5	80	0.49	0.83	22	empty

Interfaces

4 interfaces between chains.

B–C · 377 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 322 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 154 Å² buried · 1 hydrogen bond · protein-protein
B–D · 19 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2IIC · Calcium bound structure of alpha-11 giardin · the same entry in another collection · chain D against D, 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 Q4VPP2
Elsewhere: RCSB PDB 2IIC · PDBe 2IIC · UniProt Q4VPP2

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