Chemical Components in the PDB

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  • 0MK (Stereoisomer)
  • ARA (Stereoisomer)
  • HSY (Stereoisomer)
  • LXC (Stereoisomer)
  • LDY (Stereoisomer)
  • RIP (Stereoisomer)
  • XYP (Stereoisomer)
  • XYS (Stereoisomer)

ARB : Summary

Code

ARB

One-letter code

X

Molecule name

BETA-L-ARABINOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 beta-L-arabinopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5S)-oxane-2,3,4,5-tetrol

Formula

C5 H10 O5

Formal charge

0

Molecular weight

150.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)COC(O)C1O
SMILES CACTVS 3.341 O[CH]1CO[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(C(O1)O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O

IUPAC InChI

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1

IUPAC InChI key

SRBFZHDQGSBBOR-KLVWXMOXSA-N
ARB

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



ARB : Atoms of Molecule

Total Number of Atoms: 20
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 0.351 0.436 1.398
2 C2 C C2 R N N 0 -0.83 0.547 0.432
3 C3 C C3 S N N 0 -0.716 -0.555 -0.628
4 C4 C C4 S N N 0 0.669 -0.466 -1.276
5 C5 C C5 N N N 0 1.737 -0.501 -0.181
6 O1 O O1 N N Y 0 0.343 -0.855 2.01
7 O2 O O2 N N N 0 -2.054 0.393 1.154
8 O3 O O3 N N N 0 -1.728 -0.373 -1.62
9 O4 O O4 N N N 0 0.776 0.754 -2.01
10 O5 O O5 N N N 0 1.574 0.617 0.688
11 H1 H H1 N N N 0 0.263 1.202 2.169
12 H2 H H2 N N N 0 -0.814 1.523 -0.052
13 H3 H H3 N N N 0 -0.838 -1.53 -0.156
14 H4 H H4 N N N 0 0.811 -1.311 -1.951
15 H51 H 1H5 N N N 0 1.639 -1.423 0.391
16 H52 H 2H5 N N N 0 2.726 -0.463 -0.638
17 HO1 H HO1 N N N 0 1.098 -0.883 2.613
18 HO2 H HO2 N N N 0 -2.081 1.102 1.812
19 HO3 H HO3 N N N 0 -1.62 -1.086 -2.264
20 HO4 H HO4 N N N 0 1.662 0.77 -2.398



ARB : Chemical Bonds

Total Number of Bonds: 20
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 C2 C C sing 1.5297836 N N
2 C1 O1 C O sing 1.4287368 N N
3 C1 O5 C O sing 1.4256893 N N
4 C1 H1 C H sing 1.0903857 N N
5 C2 C3 C C sing 1.5332971 N N
6 C2 O2 C O sing 1.4293971 N N
7 C2 H2 C H sing 1.0895357 N N
8 C3 C4 C C sing 1.5316821 N N
9 C3 O3 C O sing 1.428752 N N
10 C3 H3 C H sing 1.0900885 N N
11 C4 C5 C C sing 1.5299915 N N
12 C4 O4 C O sing 1.4277972 N N
13 C4 H4 C H sing 1.090786 N N
14 C5 O5 C O sing 1.425361 N N
15 C5 H51 C H sing 1.0894365 N N
16 C5 H52 C H sing 1.090144 N N
17 O1 HO1 O H sing 0.966653 N N
18 O2 HO2 O H sing 0.9676642 N N
19 O3 HO3 O H sing 0.96683455 N N
20 O4 HO4 O H sing 0.9673655 N N



ARB : Used in PDB Entries

Total Number of PDB Entries: 8
Ligand Code PDB Entry ID Type Total Distinct
ARB 1abe Open in New Window Bound ligand 1 1
ARB 1bap Open in New Window Bound ligand 1 1
ARB 1cpo Open in New Window Bound ligand 1 1
ARB 1mmz Open in New Window Bound ligand 2 1
ARB 3tb6 Open in New Window Bound ligand 2 1
ARB 4nzf Open in New Window Bound ligand 8 1
ARB 4qdp Open in New Window Bound ligand 1 1
ARB 6abp Open in New Window Bound ligand 1 1