Structure of PDB 3s3h Chain A Binding Site BS01

Receptor Information

>3s3h Chain A (length=287) Species: 7227 (Drosophila melanogaster)

SHMASRPILIKNFAEHYRLMSADSDFRFSEEFEELKHVGRDQPCTFADLP
CNRPKNRFTNILPYDHSRFKLQPVDDDEGSDYINANYVPGHNSPREFIVT
QGPLHSTRDDFWRMCWESNSRAIVMLTRCFEKGREKCDQYWPNDTVPVFY
GDIKVQILNDSHYADWVMTEFMLCRGSEQRILRHFHFTTWPDFGVPNPPQ
TLVRFVRAFRDRIGAEQRPIVVHCSAGVGRSGTFITLDRILQQINTSDYV
DIFGIVYAMRKERVWMVQTEQQYICIHQCLLAVLEGK

Ligand information

• Ligand ID: 1BO
• InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
• InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCO
  ACDLabs 10.04: OCCCC
• Formula: C4 H10 O
• Name: 1-BUTANOL;
  BUTAN-1-OL
• ChEMBL: CHEMBL14245
• DrugBank: DB02145
• ZINC: ZINC000001530354
• PDB chain: 3s3h Chain A Residue 308

Receptor-Ligand Complex Structure

Structure summary

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]

loadScript jsmol/j2s/core/corebio.z.js

JSmol exec jmolApplet1 start applet null

Jmol JavaScript applet jmolApplet1__284201886149164__ initializing

Jmol getValue debug null

Jmol getValue logLevel null

Jmol getValue allowjavascript null

AppletRegistry.checkIn(jmolApplet1__284201886149164__)

vwrOptions:

{ "name":"jmolApplet1","applet":true,"documentBase":"https://zhanglab.comp.nus.edu.sg/BioLiP/pdb.cgi?bs=BS01&chain=A&pdb=3s3h","platform":"J.awtjs2d.Platform","fullName":"jmolApplet1__284201886149164__","codePath":"https://zhanglab.comp.nus.edu.sg/BioLiP/jsmol/j2s/","display":"jmolApplet1_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","syncId":"284201886149164","bgcolor":"#FFFFFF" }

setting document base to "https://zhanglab.comp.nus.edu.sg/BioLiP/pdb.cgi?bs=BS01&chain=A&pdb=3s3h"

(C) 2015 Jmol Development

Jmol Version: 14.32.79 2022-10-26 15:52

java.vendor: Java2Script (HTML5)

java.version: 2022-06-24 05:54:49 (JSmol/j2s)

os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)

Access: ALL

memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet1 (signed)

Jmol getValue emulate null

defaults = "Jmol"

Jmol getValue boxbgcolor null

Jmol getValue bgcolor #FFFFFF

backgroundColor = "#FFFFFF"

Jmol getValue ANIMFRAMECallback null

Jmol getValue APPLETREADYCallback Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

StatusManager callback set for APPLETREADYCallback f=Jmol._readyCallback cb=APPLETREADY

Jmol getValue ATOMMOVEDCallback null

Jmol getValue AUDIOCallback null

Jmol getValue CLICKCallback null

Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue MODELKITCallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SELECTCallback null

Jmol getValue SERVICECallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

Jmol getValue SYNCCallback null

Jmol getValue doTranslate null

language=en_US

Jmol getValue popupMenu null

Jmol getValue script null

Jmol getValue loadInline null

Jmol getValue load null

Jmol applet jmolApplet1__284201886149164__ ready

Jmol._Canvas2D (Jmol) "jmolApplet1"[x]

loadScript jsmol/j2s/core/package.js

loadScript jsmol/j2s/core/corejmol.z.js

loadScript jsmol/j2s/core/corescript.z.js

JSmol exec jmolApplet0 start applet null

Jmol JavaScript applet jmolApplet0__284201886149164__ initializing

Jmol getValue debug null

Jmol getValue logLevel null

Jmol getValue allowjavascript null

AppletRegistry.checkIn(jmolApplet0__284201886149164__)

vwrOptions:

{ "name":"jmolApplet0","applet":true,"documentBase":"https://zhanglab.comp.nus.edu.sg/BioLiP/pdb.cgi?bs=BS01&chain=A&pdb=3s3h","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0__284201886149164__","codePath":"https://zhanglab.comp.nus.edu.sg/BioLiP/jsmol/j2s/","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","syncId":"284201886149164","bgcolor":"#FFFFFF" }

setting document base to "https://zhanglab.comp.nus.edu.sg/BioLiP/pdb.cgi?bs=BS01&chain=A&pdb=3s3h"

(C) 2015 Jmol Development

Jmol Version: 14.32.79 2022-10-26 15:52

java.vendor: Java2Script (HTML5)

java.version: 2022-06-24 05:54:49 (JSmol/j2s)

os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)

Access: ALL

memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet0 (signed)

Jmol getValue emulate null

defaults = "Jmol"

Jmol getValue boxbgcolor null

Jmol getValue bgcolor #FFFFFF

backgroundColor = "#FFFFFF"

Jmol getValue ANIMFRAMECallback null

Jmol getValue APPLETREADYCallback Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

StatusManager callback set for APPLETREADYCallback f=Jmol._readyCallback cb=APPLETREADY

Jmol getValue ATOMMOVEDCallback null

Jmol getValue AUDIOCallback null

Jmol getValue CLICKCallback null

Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue MODELKITCallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SELECTCallback null

Jmol getValue SERVICECallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

Jmol getValue SYNCCallback null

Jmol getValue doTranslate null

language=en_US

Jmol getValue popupMenu null

Jmol getValue script null

Jmol getValue loadInline null

Jmol getValue load null

Jmol applet jmolApplet0__284201886149164__ ready

script 1 started

script 1 started

• PDB: 3s3h Conformational basis for substrate recruitment in protein tyrosine phosphatase 10D
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): C62 L80
• Binding residue (residue number reindexed from 1): C44 L62
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D210 C242 R248 S249 Q286
• Catalytic site (residue number reindexed from 1): D192 C224 R230 S231 Q268
• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Gene Ontology

Molecular Function

• GO:0004725 protein tyrosine phosphatase activity

Biological Process

• GO:0006470 protein dephosphorylation
• GO:0016311 dephosphorylation

External links

• PDB: RCSB:3s3h, PDBe:3s3h, PDBj:3s3h
• PDBsum: 3s3h
• PubMed: 22007620
• UniProt: P35992|PTP10_DROME Tyrosine-protein phosphatase 10D (Gene Name=Ptp10D)

Application loaded.