MolNFT v1 · #52942 · protein

Crystal structure of the human hip ectodomain

2WFT · Hedgehog-interacting protein: “Crystal structure of the human hip ectodomain”. X-ray diffraction, 2 ligands (NA, CL), 9 pockets (best druggability 0.80). MolNFT v1 #52942 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2WFT
Type: protein
Length: 846 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hedgehog-interacting protein
UniProt: Q96QV1
Ligands: NA, CL
Pockets: 9 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hedgehog-interacting protein	protein	438	5% helix, 41% strand	Q96QV1
B	Hedgehog-interacting protein	protein	408	5% helix, 41% strand	Q96QV1

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, B
CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	865	0.80	0.82	71	empty
2	777	0.79	0.83	61	empty
3	260	0.69	0.84	38	empty
4	233	0.68	0.85	37	empty
5	328	0.60	0.78	34	empty

Interfaces

1 interface between chains.

A–B · 1097 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 disulfide (disulfide).

Compared structures

2WFT · Crystal structure of the human HIP ectodomain · the same entry in another collection · chain A against A, TM-score 1.00
Q96QV1 · AlphaFold monomer V2.0 prediction for hedgehog-interacting protein (Q96QV1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q96QV1
Elsewhere: RCSB PDB 2WFT · PDBe 2WFT · UniProt Q96QV1

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