scPDB - 1ahb entry

Protein Data Bank Entry:

PDB ID : 1ahb

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 1994-01-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Ribosome-inactivating protein momordin I
ID:	RIP1_MOMCH
AC:	P16094
Organism:	Momordica charantia
Reign:	Eukaryota
TaxID:	3673
EC Number:	3.2.2.22

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	19.034
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.035	266.625

% Hydrophobic	% Polar
45.57	54.43
According to VolSite

Ligand :

HET Code:	FMP
Formula:	C10H12N5O7P
Molecular weight:	345.205 g/mol
DrugBank ID:	DB03464
Buried Surface Area:	54.3 %
Polar Surface area:	212.4 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
60.4567	90.575	2.65935

Binding mode :

What is Poseview ?

2D View
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Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C5	CE2	TYR- 70	3.46	0	Hydrophobic	false
N6	O	ILE- 71	3.16	142.61	H-Bond (Ligand Donor)	false
N1	N	ILE- 71	2.91	171.6	H-Bond (Protein Donor)	false
N7	O	GLY- 109	2.69	163.24	H-Bond (Ligand Donor)	false
N6	O	GLY- 109	3.19	156.43	H-Bond (Ligand Donor)	false
C5'	CD2	TYR- 111	3.88	0	Hydrophobic	false
C4'	CE2	TYR- 111	3.8	0	Hydrophobic	false
C1'	CE2	TYR- 111	3.85	0	Hydrophobic	false
C5	CD1	ILE- 155	4.02	0	Hydrophobic	false
N3	NH2	ARG- 163	3.09	148.24	H-Bond (Protein Donor)	false
N3	NH1	ARG- 163	3.11	147.33	H-Bond (Protein Donor)	false
O3'	O	HOH- 342	2.54	140.6	H-Bond (Ligand Donor)	false
O3'	O	HOH- 343	2.73	179.97	H-Bond (Protein Donor)	false