Chemical Components in the PDB

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PYR : Summary

Code

PYR

One-letter code

X

Molecule name

PYRUVIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 2-oxopropanoic acid
OpenEye OEToolkits 1.7.6 2-oxidanylidenepropanoic acid

Formula

C3 H4 O3

Formal charge

0

Molecular weight

88.062 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C(=O)O)C
SMILES CACTVS 3.385 CC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)C(=O)O

IUPAC InChI

InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

IUPAC InChI key

LCTONWCANYUPML-UHFFFAOYSA-N
PYR

wwPDB Information

Atom count

10 (6 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

2023-11-03

Status

Released

Obsoleted

Not Assigned



PYR : Atoms of Molecule

Total Number of Atoms: 10
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C1 N N N 0 0.705 -0.157 0.002
2 O O O1 N N N 0 1.053 -1.318 0.001
3 OXT O O2 N N Y 0 1.628 0.822 -0.002
4 CA C C2 N N N 0 -0.746 0.187 0.0
5 O3 O O3 N N Y 0 -1.092 1.344 0.001
6 CB C C3 N N N 0 -1.78 -0.91 -0.002
7 HXT H HO2 N N Y 0 2.556 0.551 -0.005
8 HB1 H H31 N N N 0 -1.281 -1.879 -0.002
9 HB2 H H32 N N N 0 -2.404 -0.822 0.887
10 HB3 H H33 N N N 0 -2.402 -0.821 -0.892



PYR : Chemical Bonds

Total Number of Bonds: 9
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C O C O doub 1.21 N N
2 C OXT C O sing 1.35 N N
3 C CA C C sing 1.49 N N
4 OXT HXT O H sing 0.97 N N
5 CA O3 C O doub 1.21 N N
6 CA CB C C sing 1.51 N N
7 CB HB1 C H sing 1.09 N N
8 CB HB2 C H sing 1.09 N N
9 CB HB3 C H sing 1.09 N N



PYR : Used in PDB Entries

Total Number of PDB Entries: 255
Ligand Code PDB Entry ID Type Total Distinct
PYR 1aq2 Open in New Window Bound ligand 1 1
PYR 1aw8 Open in New Window Polymer component 2 1
PYR 1dxf Open in New Window Bound ligand 2 1
PYR 1eua Open in New Window Bound ligand 3 1
PYR 1f3w Open in New Window Bound ligand 8 1
PYR 1f3x Open in New Window Bound ligand 8 1
PYR 1f8m Open in New Window Bound ligand 4 1
PYR 1fcb Open in New Window Bound ligand 1 1
PYR 1fdz Open in New Window Bound ligand 4 1
PYR 1h16 Open in New Window Bound ligand 1 1
PYR 1h18 Open in New Window Bound ligand 2 1
PYR 1hq6 Open in New Window Polymer component 2 1
PYR 1i72 Open in New Window Polymer component 1 1
PYR 1i79 Open in New Window Polymer component 1 1
PYR 1i7b Open in New Window Polymer component 1 1
PYR 1i7c Open in New Window Polymer component 1 1
PYR 1i7m Open in New Window Polymer component 2 1
PYR 1i7q Open in New Window Bound ligand 2 1
PYR 1ibt Open in New Window Polymer component 3 1
PYR 1ibu Open in New Window Polymer component 3 1
PYR 1ibv Open in New Window Polymer component 3 1
PYR 1ibw Open in New Window Polymer component 3 1
PYR 1ie3 Open in New Window Bound ligand 1 1
PYR 1igw Open in New Window Bound ligand 4 1
PYR 1izc Open in New Window Bound ligand 1 1
PYR 1jen Open in New Window Polymer component 2 1
PYR 1k3c Open in New Window Bound ligand 1 1
PYR 1kbi Open in New Window Bound ligand 1 1
PYR 1ldc Open in New Window Bound ligand 2 1
PYR 1mhm Open in New Window Polymer component 1 1
PYR 1mt1 Open in New Window Polymer component 6 1
PYR 1mzo Open in New Window Bound ligand 2 1
PYR 1n13 Open in New Window Polymer component 6 1
PYR 1o5q Open in New Window Bound ligand 4 1
PYR 1os1 Open in New Window Bound ligand 1 1
PYR 1p7t Open in New Window Bound ligand 2 1
PYR 1pj3 Open in New Window Bound ligand 4 1
PYR 1pkn Open in New Window Bound ligand 1 1
PYR 1pya Open in New Window Polymer component 3 1
PYR 1rqh Open in New Window Bound ligand 1 1
PYR 1say Open in New Window Bound ligand 1 1
PYR 1szf Open in New Window Bound ligand 2 1
PYR 1uhd Open in New Window Polymer component 1 1
PYR 1vc3 Open in New Window Polymer component 1 1
PYR 1w3i Open in New Window Bound ligand 4 1
PYR 1w3o Open in New Window Bound ligand 1 1
PYR 1w3p Open in New Window Bound ligand 1 1
PYR 1w3r Open in New Window Bound ligand 1 1
PYR 1w3t Open in New Window Bound ligand 4 1
PYR 1wa3 Open in New Window Bound ligand 6 1
PYR 1xg3 Open in New Window Bound ligand 4 1
PYR 1ylh Open in New Window Bound ligand 1 1
PYR 2c3o Open in New Window Bound ligand 2 1
PYR 2c3u Open in New Window Bound ligand 2 1
PYR 2c42 Open in New Window Bound ligand 2 1
PYR 2e77 Open in New Window Bound ligand 3 1
PYR 2eeo Open in New Window Bound ligand 1 1
PYR 2ez8 Open in New Window Bound ligand 2 1
PYR 2ezt Open in New Window Bound ligand 2 1
PYR 2ezu Open in New Window Bound ligand 2 1
PYR 2fn1 Open in New Window Bound ligand 2 1
PYR 2g50 Open in New Window Bound ligand 8 1
PYR 2g5f Open in New Window Bound ligand 2 1
PYR 2h9d Open in New Window Bound ligand 6 1
PYR 2hzl Open in New Window Bound ligand 3 1
PYR 2nuy Open in New Window Bound ligand 2 1
PYR 2o9a Open in New Window Bound ligand 4 1
PYR 2oz0 Open in New Window Bound ligand 1 1
PYR 2pda Open in New Window Bound ligand 2 1
PYR 2qf2 Open in New Window Bound ligand 2 1
PYR 2qqc Open in New Window Polymer component 6 1
PYR 2qqd Open in New Window Bound ligand 2 1
PYR 2r94 Open in New Window Bound ligand 4 1
PYR 2vhx Open in New Window Bound ligand 6 1
PYR 2vk1 Open in New Window Bound ligand 8 1
PYR 2vpa Open in New Window Bound ligand 1 1
PYR 2vwt Open in New Window Bound ligand 3 1
PYR 2wkj Open in New Window Bound ligand 2 1
PYR 2wva Open in New Window Bound ligand 3 1
PYR 2xfw Open in New Window Bound ligand 6 1
PYR 2xz9 Open in New Window Bound ligand 2 1
PYR 3a4v Open in New Window Bound ligand 2 1
PYR 3bg3 Open in New Window Bound ligand 4 1
PYR 3bg5 Open in New Window Bound ligand 4 1
PYR 3blf Open in New Window Bound ligand 1 1
PYR 3bli Open in New Window Bound ligand 1 1
PYR 3bp2 Open in New Window Polymer component 1 1
PYR 3c7d Open in New Window Bound ligand 1 1
PYR 3d4p Open in New Window Bound ligand 2 1
PYR 3di1 Open in New Window Bound ligand 2 1
PYR 3dv0 Open in New Window Bound ligand 2 1
PYR 3dz2 Open in New Window Polymer component 1 1
PYR 3dz3 Open in New Window Polymer component 1 1
PYR 3dz4 Open in New Window Polymer component 1 1
PYR 3dz5 Open in New Window Polymer component 1 1
PYR 3dz6 Open in New Window Polymer component 1 1
PYR 3dz7 Open in New Window Polymer component 1 1
PYR 3ep3 Open in New Window Bound ligand 1 1
PYR 3ep4 Open in New Window Bound ligand 1 1
PYR 3ep5 Open in New Window Bound ligand 1 1
PYR 3ep6 Open in New Window Bound ligand 1 1
PYR 3ep7 Open in New Window Bound ligand 1 1
PYR 3ep8 Open in New Window Bound ligand 1 1
PYR 3ep9 Open in New Window Bound ligand 1 1
PYR 3epa Open in New Window Bound ligand 1 1
PYR 3epb Open in New Window Bound ligand 1 1
PYR 3h0v Open in New Window Bound ligand 1 1
PYR 3h0w Open in New Window Bound ligand 1 1
PYR 3h3j Open in New Window Bound ligand 2 1
PYR 3hgx Open in New Window Bound ligand 2 1
PYR 3i7s Open in New Window Bound ligand 2 1
PYR 3iwb Open in New Window Polymer component 2 1
PYR 3iwc Open in New Window Polymer component 2 1
PYR 3iwd Open in New Window Polymer component 2 1
PYR 3l21 Open in New Window Bound ligand 1 1
PYR 3ldh Open in New Window Bound ligand 1 1
PYR 3n25 Open in New Window Bound ligand 8 1
PYR 3noj Open in New Window Bound ligand 1 1
PYR 3oyz Open in New Window Bound ligand 1 1
PYR 3plx Open in New Window Polymer component 1 1
PYR 3r75 Open in New Window Bound ligand 2 1
PYR 3r76 Open in New Window Bound ligand 2 1
PYR 3rem Open in New Window Bound ligand 2 1
PYR 3ret Open in New Window Bound ligand 2 1
PYR 3rk8 Open in New Window Bound ligand 2 1
PYR 3srf Open in New Window Bound ligand 8 1
PYR 3tak Open in New Window Bound ligand 2 1
PYR 3vcr Open in New Window Bound ligand 2 1
PYR 4aon Open in New Window Polymer component 2 1
PYR 4b5s Open in New Window Bound ligand 2 1
PYR 4b5u Open in New Window Bound ligand 2 1
PYR 4b5v Open in New Window Bound ligand 2 1
PYR 4b5w Open in New Window Bound ligand 6 1
PYR 4bv9 Open in New Window Bound ligand 1 1
PYR 4d7z Open in New Window Polymer component 1 1
PYR 4d8w Open in New Window Bound ligand 3 1
PYR 4d92 Open in New Window Bound ligand 4 1
PYR 4ew7 Open in New Window Bound ligand 1 1
PYR 4exo Open in New Window Bound ligand 1 1
PYR 4fee Open in New Window Bound ligand 4 1
PYR 4feg Open in New Window Bound ligand 4 1
PYR 4iqd Open in New Window Bound ligand 5 1
PYR 4iy7 Open in New Window Bound ligand 2 1
PYR 4iyo Open in New Window Bound ligand 1 1
PYR 4jgo Open in New Window Bound ligand 2 1
PYR 4jgp Open in New Window Bound ligand 2 1
PYR 4jgt Open in New Window Bound ligand 3 1
PYR 4jmc Open in New Window Bound ligand 3 1
PYR 4jx5 Open in New Window Bound ligand 4 1
PYR 4jx6 Open in New Window Bound ligand 2 1
PYR 4kct Open in New Window Bound ligand 2 1
PYR 4lrs Open in New Window Bound ligand 1 1
PYR 4lrt Open in New Window Bound ligand 2 1
PYR 4m6v Open in New Window Bound ligand 4 1
PYR 4mys Open in New Window Bound ligand 1 1
PYR 4nd2 Open in New Window Bound ligand 2 1
PYR 4nd4 Open in New Window Bound ligand 2 1
PYR 4oe7 Open in New Window Bound ligand 2 1
PYR 4pet Open in New Window Bound ligand 2 1
PYR 4plc Open in New Window Bound ligand 4 1
PYR 4plf Open in New Window Bound ligand 2 1
PYR 4ply Open in New Window Bound ligand 6 1
PYR 4ptn Open in New Window Bound ligand 2 1
PYR 4rje Open in New Window Bound ligand 4 1
PYR 4rjk Open in New Window Bound ligand 5 1
PYR 4rv5 Open in New Window Bound ligand 2 1
PYR 4u4m Open in New Window Bound ligand 4 1
PYR 4uui Open in New Window Bound ligand 4 1
PYR 4yj5 Open in New Window Bound ligand 4 1
PYR 4yl2 Open in New Window Bound ligand 4 1
PYR 4zbt Open in New Window Bound ligand 4 1
PYR 5b47 Open in New Window Bound ligand 1 1
PYR 5c55 Open in New Window Bound ligand 2 1
PYR 5cm6 Open in New Window Bound ligand 2 1
PYR 5ebu Open in New Window Bound ligand 8 1
PYR 5fy9 Open in New Window Bound ligand 1 1
PYR 5fyi Open in New Window Bound ligand 4 1
PYR 5hp8 Open in New Window Bound ligand 3 1
PYR 5hwn Open in New Window Bound ligand 4 1
PYR 5ks8 Open in New Window Bound ligand 2 1
PYR 5lc1 Open in New Window Bound ligand 6 1
PYR 5lu4 Open in New Window Bound ligand 1 1
PYR 5tvf Open in New Window Polymer component 2 1
PYR 5tvm Open in New Window Polymer component 2 1
PYR 5tvo Open in New Window Bound ligand 1 1
PYR 5w5r Open in New Window Bound ligand 9 1
PYR 5wdg Open in New Window Bound ligand 2 1
PYR 5x0i Open in New Window Bound ligand 4 1
PYR 6a24 Open in New Window Bound ligand 1 1
PYR 6al9 Open in New Window Bound ligand 1 1
PYR 6aq4 Open in New Window Bound ligand 1 1
PYR 6arb Open in New Window Bound ligand 3 1
PYR 6bd9 Open in New Window Bound ligand 4 1
PYR 6bm7 Open in New Window Polymer component 2 1
PYR 6c4a Open in New Window Bound ligand 8 1
PYR 6c4c Open in New Window Bound ligand 5 1
PYR 6c7n Open in New Window Bound ligand 3 1
PYR 6cj3 Open in New Window Bound ligand 2 1
PYR 6com Open in New Window Bound ligand 1 1
PYR 6h2s Open in New Window Bound ligand 4 1
PYR 6j5x Open in New Window Bound ligand 1 1
PYR 6j5y Open in New Window Bound ligand 1 1
PYR 6j9u Open in New Window Bound ligand 3 1
PYR 6jvw Open in New Window Bound ligand 2 1
PYR 6k1l Open in New Window Bound ligand 2 1
PYR 6k1m Open in New Window Bound ligand 2 1
PYR 6l06 Open in New Window Polymer component 4 1
PYR 6l07 Open in New Window Polymer component 3 1
PYR 6m73 Open in New Window Bound ligand 1 1
PYR 6m74 Open in New Window Bound ligand 1 1
PYR 6oyy Open in New Window Polymer component 6 1
PYR 6oz8 Open in New Window Polymer component 6 1
PYR 6p02 Open in New Window Polymer component 12 1
PYR 6p1y Open in New Window Polymer component 1 1
PYR 6rxh Open in New Window Polymer component 2 1
PYR 6t4v Open in New Window Bound ligand 4 1
PYR 6t5m Open in New Window Bound ligand 4 1
PYR 6ug4 Open in New Window Bound ligand 2 1
PYR 7a8y Open in New Window Bound ligand 2 1
PYR 7bvd Open in New Window Bound ligand 1 1
PYR 7cnw Open in New Window Polymer component 2 1
PYR 7cnx Open in New Window Polymer component 4 1
PYR 7cny Open in New Window Polymer component 2 1
PYR 7cnz Open in New Window Polymer component 4 1
PYR 7et9 Open in New Window Bound ligand 3 1
PYR 7eta Open in New Window Bound ligand 3 1
PYR 7etb Open in New Window Bound ligand 3 1
PYR 7etc Open in New Window Bound ligand 2 1
PYR 7etf Open in New Window Bound ligand 3 1
PYR 7etg Open in New Window Bound ligand 3 1
PYR 7eth Open in New Window Bound ligand 3 1
PYR 7eti Open in New Window Bound ligand 3 1
PYR 7f22 Open in New Window Bound ligand 2 1
PYR 7o1o Open in New Window Bound ligand 1 1
PYR 7o1t Open in New Window Bound ligand 1 1
PYR 7o25 Open in New Window Bound ligand 1 1
PYR 7z4n Open in New Window Bound ligand 1 1
PYR 7zyy Open in New Window Bound ligand 4 1
PYR 7zz2 Open in New Window Bound ligand 1 1
PYR 7zz3 Open in New Window Bound ligand 4 1
PYR 7zz6 Open in New Window Bound ligand 2 1
PYR 7zz8 Open in New Window Bound ligand 4 1
PYR 8f5u Open in New Window Bound ligand 2 1
PYR 8glb Open in New Window Bound ligand 4 1
PYR 8gmk Open in New Window Bound ligand 2 1
PYR 8gst Open in New Window Bound ligand 1 1
PYR 8hyh Open in New Window Bound ligand 1 1
PYR 8irk Open in New Window Bound ligand 1 1
PYR 8iry Open in New Window Bound ligand 1 1
PYR 8jds Open in New Window Bound ligand 1 1
PYR 8tbs Open in New Window Bound ligand 8 1
PYR 8tbt Open in New Window Bound ligand 4 1
PYR 8tbu Open in New Window Bound ligand 6 1
PYR 8u8w Open in New Window Bound ligand 1 1
PYR 8ur2 Open in New Window Bound ligand 1 1