Chemical Components in the PDB

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DTH : Summary

Code

DTH

One-letter code

T

Molecule name

D-THREONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-threonine
OpenEye OEToolkits 1.5.0 (2R,3S)-2-amino-3-hydroxy-butanoic acid

Formula

C4 H9 N O3

Formal charge

0

Molecular weight

119.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C(O)C
SMILES CACTVS 3.341 C[CH](O)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 C[C@H](O)[C@@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]([C@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1

IUPAC InChI key

AYFVYJQAPQTCCC-STHAYSLISA-N
DTH

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

THR

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned



DTH : Atoms of Molecule

Total Number of Atoms: 17
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 0.402 -1.692 -0.3
2 CA C CA R N N 0 0.054 -0.31 -0.658
3 CB C CB S N N 0 1.085 0.648 -0.058
4 CG2 C CG2 N N N 0 2.473 0.313 -0.608
5 OG1 O OG1 N N N 0 1.091 0.511 1.365
6 C C C N N N 0 -1.313 0.02 -0.116
7 O O O N N N 0 -1.781 -0.637 0.784
8 OXT O OXT N N Y 0 -2.011 1.043 -0.633
9 H H H N N N 0 1.358 -1.834 -0.59
10 H2 H HN2 N N Y 0 0.394 -1.741 0.708
11 HA H HA N N N 0 0.049 -0.206 -1.743
12 HB H HB N N N 0 0.827 1.673 -0.323
13 HG21 H HG21 N N N 0 3.208 0.995 -0.18
14 HG22 H HG22 N N N 0 2.731 -0.712 -0.342
15 HG23 H HG23 N N N 0 2.469 0.417 -1.693
16 HG1 H HG1 N N N 0 1.752 1.13 1.703
17 HXT H HXT N N Y 0 -2.889 1.254 -0.286



DTH : Chemical Bonds

Total Number of Bonds: 16
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N CA N C sing 1.47 N N
2 N H N H sing 1.01 N N
3 N H2 N H sing 1.01 N N
4 CA CB C C sing 1.53 N N
5 CA C C C sing 1.51 N N
6 CA HA C H sing 1.09 N N
7 CB CG2 C C sing 1.53 N N
8 CB OG1 C O sing 1.43 N N
9 CB HB C H sing 1.09 N N
10 CG2 HG21 C H sing 1.09 N N
11 CG2 HG22 C H sing 1.09 N N
12 CG2 HG23 C H sing 1.09 N N
13 OG1 HG1 O H sing 0.97 N N
14 C O C O doub 1.21 N N
15 C OXT C O sing 1.34 N N
16 OXT HXT O H sing 0.97 N N



DTH : Used in PDB Entries

Total Number of PDB Entries: 118
Ligand Code PDB Entry ID Type Total Distinct
DTH 1kro Open in New Window Bound ligand 1 1
DTH 2jue Open in New Window Polymer component 5 5
DTH 2kql Open in New Window Polymer component 1 1
DTH 2l9x Open in New Window Polymer component 1 1
DTH 2q33 Open in New Window Polymer component 4 4
DTH 3bog Open in New Window Polymer component 6 3
DTH 3go0 Open in New Window Polymer component 2 1
DTH 3lnj Open in New Window Polymer component 3 1
DTH 3tjw Open in New Window Polymer component 1 1
DTH 3tpx Open in New Window Polymer component 3 1
DTH 3trv Open in New Window Polymer component 1 1
DTH 3try Open in New Window Polymer component 1 1
DTH 3u8o Open in New Window Polymer component 1 1
DTH 3ue7 Open in New Window Polymer component 6 6
DTH 4gln Open in New Window Polymer component 20 10
DTH 4gls Open in New Window Polymer component 26 13
DTH 4glu Open in New Window Polymer component 18 3
DTH 4oij Open in New Window Polymer component 4 2
DTH 4oik Open in New Window Polymer component 4 2
DTH 4ttk Open in New Window Polymer component 1 1
DTH 4ttm Open in New Window Polymer component 5 5
DTH 4ttn Open in New Window Polymer component 5 5
DTH 4tto Open in New Window Polymer component 5 5
DTH 5e5t Open in New Window Polymer component 2 1
DTH 5e5y Open in New Window Polymer component 2 1
DTH 5f1w Open in New Window Polymer component 6 1
DTH 5go7 Open in New Window Polymer component 7 7
DTH 5go8 Open in New Window Polymer component 7 7
DTH 5gob Open in New Window Polymer component 7 7
DTH 5goc Open in New Window Polymer component 7 7
DTH 5god Open in New Window Polymer component 14 7
DTH 5gog Open in New Window Polymer component 7 7
DTH 5goh Open in New Window Polymer component 7 7
DTH 5goi Open in New Window Polymer component 14 7
DTH 5goj Open in New Window Polymer component 7 7
DTH 5gok Open in New Window Polymer component 7 7
DTH 5hhc Open in New Window Polymer component 20 10
DTH 5hhd Open in New Window Polymer component 26 13
DTH 5i1n Open in New Window Polymer component 4 1
DTH 5i1o Open in New Window Polymer component 4 1
DTH 5i1p Open in New Window Polymer component 4 1
DTH 5i1s Open in New Window Polymer component 2 1
DTH 5i5a Open in New Window Polymer component 4 4
DTH 5i5b Open in New Window Polymer component 4 4
DTH 5j8p Open in New Window Polymer component 7 7
DTH 5jbv Open in New Window Polymer component 7 7
DTH 5jby Open in New Window Polymer component 21 7
DTH 5l3f Open in New Window Polymer component 2 2
DTH 5l3g Open in New Window Polymer component 2 2
DTH 5n8t Open in New Window Polymer component 1 1
DTH 5n8w Open in New Window Polymer component 2 1
DTH 5x3m Open in New Window Polymer component 7 7
DTH 5x3o Open in New Window Polymer component 7 7
DTH 5xdp Open in New Window Polymer component 7 7
DTH 5xpk Open in New Window Polymer component 7 7
DTH 6beq Open in New Window Polymer component 1 1
DTH 6bf3 Open in New Window Polymer component 1 1
DTH 6bf5 Open in New Window Polymer component 1 1
DTH 6cnu Open in New Window Polymer component 1 1
DTH 6e00 Open in New Window Polymer component 32 1
DTH 6jv7 Open in New Window Polymer component 3 3
DTH 6kzf Open in New Window Polymer component 2 2
DTH 6o4m Open in New Window Polymer component 4 2
DTH 6phm Open in New Window Polymer component 3 3
DTH 6phn Open in New Window Polymer component 3 3
DTH 6phq Open in New Window Polymer component 3 3
DTH 6t1y Open in New Window Polymer component 5 1
DTH 6t20 Open in New Window Polymer component 5 1
DTH 6t25 Open in New Window Polymer component 5 1
DTH 6ti3 Open in New Window Bound ligand 4 1
DTH 6udr Open in New Window Polymer component 1 1
DTH 6udw Open in New Window Polymer component 1 1
DTH 6wi3 Open in New Window Polymer component 3 1
DTH 6yfy Open in New Window Polymer component 4 1
DTH 7ad9 Open in New Window Polymer component 5 1
DTH 7ll8 Open in New Window Polymer component 4 2
DTH 7ooj Open in New Window Polymer component 2 1
DTH 7p1g Open in New Window Polymer component 5 1
DTH 7pdz Open in New Window Polymer component 5 1
DTH 7plt Open in New Window Polymer component 1 1
DTH 7plu Open in New Window Polymer component 3 1
DTH 7plv Open in New Window Polymer component 1 1
DTH 7plw Open in New Window Polymer component 1 1
DTH 7plx Open in New Window Polymer component 1 1
DTH 7pm5 Open in New Window Polymer component 1 1
DTH 7pm6 Open in New Window Polymer component 3 1
DTH 7pm7 Open in New Window Polymer component 1 1
DTH 7pm8 Open in New Window Polymer component 1 1
DTH 7pm9 Open in New Window Polymer component 1 1
DTH 7pma Open in New Window Polymer component 1 1
DTH 7pmb Open in New Window Polymer component 1 1
DTH 7pmc Open in New Window Polymer component 1 1
DTH 7pmd Open in New Window Polymer component 1 1
DTH 7pme Open in New Window Polymer component 3 1
DTH 7pmf Open in New Window Polymer component 1 1
DTH 7pmg Open in New Window Polymer component 1 1
DTH 7pmh Open in New Window Polymer component 1 1
DTH 7pmi Open in New Window Polymer component 1 1
DTH 7pmj Open in New Window Polymer component 1 1
DTH 7pml Open in New Window Polymer component 1 1
DTH 7qgv Open in New Window Polymer component 4 1
DTH 7rc6 Open in New Window Polymer component 3 3
DTH 7rih Open in New Window Polymer component 1 1
DTH 7rij Open in New Window Polymer component 1 1
DTH 7tpt Open in New Window Polymer component 15 1
DTH 7yh8 Open in New Window Polymer component 2 1
DTH 8avr Open in New Window Polymer component 2 1
DTH 8avs Open in New Window Polymer component 2 1
DTH 8avt Open in New Window Polymer component 2 1
DTH 8avu Open in New Window Polymer component 1 1
DTH 8jh6 Open in New Window Polymer component 8 8
DTH 8oi6 Open in New Window Polymer component 3 1
DTH 8p6q Open in New Window Polymer component 2 2
DTH 8p94 Open in New Window Polymer component 10 1
DTH 8rtt Open in New Window Polymer component 3 1
DTH 8rty Open in New Window Polymer component 3 1
DTH 8u78 Open in New Window Polymer component 8 1
DTH 8v30 Open in New Window Polymer component 5 1