Chemical Components in the PDB

pdbe.org/chem
spacer

TYR : Summary

Code

TYR

One-letter code

Y

Molecule name

TYROSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-tyrosine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Formula

C9 H11 N O3

Formal charge

0

Molecular weight

181.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc1ccc(O)cc1
SMILES CACTVS 3.341 N[CH](Cc1ccc(O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

IUPAC InChI key

OUYCCCASQSFEME-QMMMGPOBSA-N
TYR

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



TYR : Atoms of Molecule

Total Number of Atoms: 24
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 1.32 0.952 1.428
2 CA C CA S N N 0 -0.018 0.429 1.734
3 C C C N N N 0 -0.103 0.094 3.201
4 O O O N N N 0 0.886 -0.254 3.799
5 CB C CB N N N 0 -0.274 -0.831 0.907
6 CG C CG N Y N 0 -0.189 -0.496 -0.559
7 CD1 C CD1 N Y N 0 1.022 -0.589 -1.219
8 CD2 C CD2 N Y N 0 -1.324 -0.102 -1.244
9 CE1 C CE1 N Y N 0 1.103 -0.282 -2.563
10 CE2 C CE2 N Y N 0 -1.247 0.21 -2.587
11 CZ C CZ N Y N 0 -0.032 0.118 -3.252
12 OH O OH N N N 0 0.044 0.42 -4.574
13 OXT O OXT N N Y 0 -1.279 0.184 3.842
14 H H H N N N 0 1.977 0.225 1.669
15 H2 H HN2 N N Y 0 1.365 1.063 0.426
16 HA H HA N N N 0 -0.767 1.183 1.489
17 HB2 H 1HB N N N 0 0.473 -1.585 1.152
18 HB3 H 2HB N N N 0 -1.268 -1.219 1.134
19 HD1 H HD1 N N N 0 1.905 -0.902 -0.683
20 HD2 H HD2 N N N 0 -2.269 -0.031 -0.727
21 HE1 H HE1 N N N 0 2.049 -0.354 -3.078
22 HE2 H HE2 N N N 0 -2.132 0.523 -3.121
23 HH H HH N N N 0 -0.123 -0.399 -5.059
24 HXT H HXT N N Y 0 -1.333 -0.03 4.784



TYR : Chemical Bonds

Total Number of Bonds: 24
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 C C C sing 1.51 N N
5 CA CB C C sing 1.53 N N
6 CA HA C H sing 1.09 N N
7 C O C O doub 1.21 N N
8 C OXT C O sing 1.34 N N
9 CB CG C C sing 1.51 N N
10 CB HB2 C H sing 1.09 N N
11 CB HB3 C H sing 1.09 N N
12 CG CD1 C C doub 1.38 N Y
13 CG CD2 C C sing 1.38 N Y
14 CD1 CE1 C C sing 1.38 N Y
15 CD1 HD1 C H sing 1.08 N N
16 CD2 CE2 C C doub 1.38 N Y
17 CD2 HD2 C H sing 1.08 N N
18 CE1 CZ C C doub 1.39 N Y
19 CE1 HE1 C H sing 1.08 N N
20 CE2 CZ C C sing 1.39 N Y
21 CE2 HE2 C H sing 1.08 N N
22 CZ OH C O sing 1.36 N N
23 OH HH O H sing 0.97 N N
24 OXT HXT O H sing 0.97 N N



TYR : Used in PDB Entries

Total Number of PDB Entries: 82
Ligand Code PDB Entry ID Type Total Distinct
TYR 1ahg Open in New Window Bound ligand 2 1
TYR 1fe1 Open in New Window Bound ligand 4 1
TYR 1j1u Open in New Window Bound ligand 1 1
TYR 1s2k Open in New Window Bound ligand 1 1
TYR 1tya Open in New Window Bound ligand 1 1
TYR 1tyb Open in New Window Bound ligand 1 1
TYR 1tyd Open in New Window Bound ligand 1 1
TYR 1wq4 Open in New Window Bound ligand 1 1
TYR 1x8x Open in New Window Bound ligand 1 1
TYR 1y42 Open in New Window Bound ligand 1 1
TYR 1yxw Open in New Window Bound ligand 1 1
TYR 2amc Open in New Window Bound ligand 2 1
TYR 2bn2 Open in New Window Bound ligand 4 1
TYR 2csm Open in New Window Bound ligand 1 1
TYR 2cyb Open in New Window Bound ligand 2 1
TYR 2cyc Open in New Window Bound ligand 2 1
TYR 2hnu Open in New Window Bound ligand 5 1
TYR 2hnv Open in New Window Bound ligand 5 1
TYR 2pv7 Open in New Window Bound ligand 2 1
TYR 2qaa Open in New Window Bound ligand 2 1
TYR 2vby Open in New Window Bound ligand 1 1
TYR 2whz Open in New Window Bound ligand 1 1
TYR 2xii Open in New Window Bound ligand 2 1
TYR 2ypp Open in New Window Bound ligand 3 1
TYR 2ypq Open in New Window Bound ligand 3 1
TYR 3b37 Open in New Window Bound ligand 1 1
TYR 3cpa Open in New Window Bound ligand 1 1
TYR 3ggg Open in New Window Bound ligand 2 1
TYR 3jw7 Open in New Window Bound ligand 8 1
TYR 3jzu Open in New Window Bound ligand 8 1
TYR 3k1g Open in New Window Bound ligand 8 1
TYR 3kdz Open in New Window Bound ligand 2 1
TYR 3kum Open in New Window Bound ligand 8 1
TYR 3mo4 Open in New Window Bound ligand 1 1
TYR 3o7b Open in New Window Bound ligand 1 1
TYR 3pg9 Open in New Window Bound ligand 8 1
TYR 3vgj Open in New Window Bound ligand 2 1
TYR 3wol Open in New Window Bound ligand 2 1
TYR 3wom Open in New Window Bound ligand 2 1
TYR 3won Open in New Window Bound ligand 2 1
TYR 4csm Open in New Window Bound ligand 2 1
TYR 4d56 Open in New Window Bound ligand 1 1
TYR 4grs Open in New Window Bound ligand 4 1
TYR 4hso Open in New Window Bound ligand 4 1
TYR 4i4t Open in New Window Bound ligand 1 1
TYR 4oel Open in New Window Bound ligand 1 1
TYR 4ojm Open in New Window Bound ligand 1 1
TYR 4oud Open in New Window Bound ligand 1 1
TYR 4p6r Open in New Window Bound ligand 2 1
TYR 4ppu Open in New Window Bound ligand 1 1
TYR 4qbt Open in New Window Bound ligand 1 1
TYR 4r0t Open in New Window Bound ligand 1 1
TYR 4ts1 Open in New Window Bound ligand 2 1
TYR 4wji Open in New Window Bound ligand 1 1
TYR 5ckv Open in New Window Bound ligand 1 1
TYR 5ckx Open in New Window Bound ligand 1 1
TYR 5dcd Open in New Window Bound ligand 4 1
TYR 5ihx Open in New Window Bound ligand 1 1
TYR 5ijx Open in New Window Bound ligand 1 1
TYR 5jvo Open in New Window Bound ligand 2 1
TYR 5m8p Open in New Window Bound ligand 4 1
TYR 5t95 Open in New Window Bound ligand 2 1
TYR 5t9f Open in New Window Bound ligand 2 1
TYR 5thh Open in New Window Bound ligand 1 1
TYR 5uxn Open in New Window Bound ligand 1 1
TYR 5uyy Open in New Window Bound ligand 4 1
TYR 6a8z Open in New Window Bound ligand 2 1
TYR 6agm Open in New Window Bound ligand 4 1
TYR 6bqz Open in New Window Bound ligand 2 1
TYR 6eem Open in New Window Bound ligand 1 1
TYR 6eyv Open in New Window Bound ligand 2 1
TYR 6hjw Open in New Window Bound ligand 2 1
TYR 6hni Open in New Window Bound ligand 1 1
TYR 6iff Open in New Window Bound ligand 2 1
TYR 6ju7 Open in New Window Bound ligand 2 1
TYR 6ju9 Open in New Window Bound ligand 2 1
TYR 6l1o Open in New Window Bound ligand 1 1
TYR 6otj Open in New Window Bound ligand 2 1
TYR 6u60 Open in New Window Bound ligand 2 1
TYR 6wjo Open in New Window Bound ligand 2 1
TYR 6yjy Open in New Window Bound ligand 3 1
TYR 6yu7 Open in New Window Bound ligand 1 1