scPDB - 3hdh entry

Protein Data Bank Entry:

PDB ID : 3hdh

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 1999-04-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
ID:	HCDH_PIG
AC:	P00348
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	1.1.1.35

Chains:

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

Ligand binding site composition:

B-Factor:	53.459
Number of residues:	37
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.434	965.250

% Hydrophobic	% Polar
52.10	47.90
According to VolSite

Ligand :

HET Code:	NAD
Formula:	C21H26N7O14P2
Molecular weight:	662.417 g/mol
DrugBank ID:	-
Buried Surface Area:	53.51 %
Polar Surface area:	343.54 Å2

Number of
H-Bond Acceptors:	18
H-Bond Donors:	6
Rings:	5
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	11

Mass center Coordinates

X	Y	Z
17.4038	-30.374	46.3779

Binding mode :

What is Poseview ?

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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
O2A	N	LEU- 25	2.85	153.11	H-Bond (Protein Donor)	false
O2N	N	MET- 26	3	154.94	H-Bond (Protein Donor)	false
C4N	SD	MET- 26	3.56	0	Hydrophobic	false
O3B	OD2	ASP- 45	2.73	164.39	H-Bond (Ligand Donor)	false
O2B	OD2	ASP- 45	3.39	131.55	H-Bond (Ligand Donor)	false
O2B	OD1	ASP- 45	2.62	171.06	H-Bond (Ligand Donor)	false
O2B	NE2	GLN- 46	3.17	145.66	H-Bond (Protein Donor)	false
C3D	CB	GLU- 110	3.81	0	Hydrophobic	false
O3D	NZ	LYS- 115	3.01	156.27	H-Bond (Protein Donor)	false
O4D	ND2	ASN- 135	3.22	122.66	H-Bond (Protein Donor)	false
O2D	N	SER- 137	3.26	139.63	H-Bond (Protein Donor)	false