Chemical Components in the PDB

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2HP : Summary

Code

2HP

One-letter code

X

Molecule name

DIHYDROGENPHOSPHATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 dihydrogen phosphate
OpenEye OEToolkits 1.5.0 dihydrogen phosphate

Formula

H2 O4 P

Formal charge

-1

Molecular weight

96.987 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]P(=O)(O)O
SMILES CACTVS 3.341 O[P](O)([O-])=O
SMILES OpenEye OEToolkits 1.5.0 OP(=O)(O)[O-]
Canonical SMILES CACTVS 3.341 O[P](O)([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 OP(=O)(O)[O-]

IUPAC InChI

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1

IUPAC InChI key

NBIIXXVUZAFLBC-UHFFFAOYSA-M
2HP

wwPDB Information

Atom count

7 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



2HP : Atoms of Molecule

Total Number of Atoms: 7
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 P P P N N N 0 0.0 0.019 0.0
2 O1 O O1 N N N 0 0.0 0.911 1.261
3 O2 O O2 N N N -1 1.315 -0.91 0.0
4 O3 O O3 N N N 0 -1.315 -0.91 0.0
5 O4 O O4 N N N 0 0.0 0.911 -1.261
6 HO3 H HO3 N N N 0 -2.077 -0.316 0.0
7 HO4 H HO4 N N N 0



2HP : Chemical Bonds

Total Number of Bonds: 6
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 P O1 P O doub 1.54 N N
2 P O2 P O sing 1.61 N N
3 P O3 P O sing 1.61 N N
4 P O4 P O sing 1.54 N N
5 O3 HO3 O H sing 0.97 N N
6 O4 HO4 O H sing N N



2HP : Used in PDB Entries

Total Number of PDB Entries: 35
Ligand Code PDB Entry ID Type Total Distinct
2HP 1a54 Open in New Window Bound ligand 1 1
2HP 1a55 Open in New Window Bound ligand 1 1
2HP 1gxu Open in New Window Bound ligand 1 1
2HP 1ixi Open in New Window Bound ligand 1 1
2HP 1jsc Open in New Window Bound ligand 3 1
2HP 1pr9 Open in New Window Bound ligand 2 1
2HP 2ddg Open in New Window Bound ligand 2 1
2HP 2dem Open in New Window Bound ligand 2 1
2HP 2dp6 Open in New Window Bound ligand 2 1
2HP 2h0n Open in New Window Bound ligand 2 1
2HP 2jc4 Open in New Window Bound ligand 1 1
2HP 2np1 Open in New Window Bound ligand 2 1
2HP 2obe Open in New Window Bound ligand 22 1
2HP 2x1l Open in New Window Bound ligand 3 1
2HP 2x1m Open in New Window Bound ligand 1 1
2HP 3c46 Open in New Window Bound ligand 2 1
2HP 3ch3 Open in New Window Bound ligand 2 1
2HP 3q22 Open in New Window Bound ligand 2 1
2HP 3q23 Open in New Window Bound ligand 2 1
2HP 3q24 Open in New Window Bound ligand 2 1
2HP 4c4w Open in New Window Bound ligand 2 1
2HP 4ind Open in New Window Bound ligand 60 1
2HP 4tuf Open in New Window Bound ligand 27 1
2HP 4xiw Open in New Window Bound ligand 16 1
2HP 4xix Open in New Window Bound ligand 24 1
2HP 5tde Open in New Window Bound ligand 3 1
2HP 6qfb Open in New Window Bound ligand 3 1
2HP 8aih Open in New Window Bound ligand 1 1
2HP 8ghh Open in New Window Bound ligand 2 1
2HP 8ghi Open in New Window Bound ligand 1 1
2HP 8h78 Open in New Window Bound ligand 1 1
2HP 8k5v Open in New Window Bound ligand 1 1
2HP 8k5w Open in New Window Bound ligand 1 1
2HP 8k5x Open in New Window Bound ligand 1 1
2HP 8k5y Open in New Window Bound ligand 1 1