MolNFT v1 · #93685 · protein

Crystal structure ofa phenyl alanine 91 mutant of wci

4HA2 · Chymotrypsin inhibitor 3: “Crystal structure ofa phenyl alanine 91 mutant of wci”. X-ray diffraction, 1 ligand (NI). MolNFT v1 #93685 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HA2
Type: protein
Length: 347 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chymotrypsin inhibitor 3
UniProt: P10822
Ligands: NI

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chymotrypsin inhibitor 3	protein	174	2% helix, 40% strand	P10822
B	Chymotrypsin inhibitor 3	protein	173	4% helix, 36% strand	P10822

Ligands and binding sites

NI · Nickel (II) ion · metal · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

A–B · 37 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4HA2 · Crystal structure ofa phenyl alanine 91 mutant of WCI · the same entry in another collection · chain A against A, TM-score 1.00
P10822 · AlphaFold monomer V2.0 prediction for chymotrypsin inhibitor 3 (P10822) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P10822
Elsewhere: RCSB PDB 4HA2 · PDBe 4HA2 · UniProt P10822

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