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Related entries of code: 4o44
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bqmRCSB PDB    PDBbind430aa, >1BQM_2|Chain... at 99%
1bqnRCSB PDB    PDBbind430aa, >1BQN_2|Chain... at 98%
1dtqRCSB PDB    PDBbind440aa, >1DTQ_2|Chain... at 100%
1dttRCSB PDB    PDBbind440aa, >1DTT_2|Chain... at 100%
1ikvRCSB PDB    PDBbind427aa, >1IKV_2|Chain... at 99%
1ikwRCSB PDB    PDBbind427aa, >1IKW_2|Chain... at 99%
1ikxRCSB PDB    PDBbind427aa, >1IKX_2|Chain... at 99%
1ikyRCSB PDB    PDBbind427aa, >1IKY_2|Chain... at 99%
1jlqRCSB PDB    PDBbind440aa, >1JLQ_2|Chain... at 100%
1revRCSB PDB    PDBbind440aa, >1REV_2|Chain... at 100%
1rt1RCSB PDB    PDBbind440aa, >1RT1_2|Chain... at 100%
1rt2RCSB PDB    PDBbind440aa, >1RT2_2|Chain... at 100%
1rthRCSB PDB    PDBbind440aa, >1RTH_2|Chain... at 100%
1rtiRCSB PDB    PDBbind440aa, >1RTI_2|Chain... at 100%
1tktRCSB PDB    PDBbind560aa, >1TKT_1|Chain... at 100%
1tkxRCSB PDB    PDBbind440aa, >1TKX_2|Chain... at 100%
1tkzRCSB PDB    PDBbind440aa, >1TKZ_2|Chain... at 100%
1tl1RCSB PDB    PDBbind440aa, >1TL1_2|Chain... at 100%
1tl3RCSB PDB    PDBbind440aa, >1TL3_2|Chain... at 100%
1tv6RCSB PDB    PDBbind440aa, >1TV6_2|Chain... at 99%
1tvrRCSB PDB    PDBbind427aa, >1TVR_2|Chain... at 99%
1uwbRCSB PDB    PDBbind427aa, >1UWB_2|Chain... at 99%
1vrtRCSB PDB    PDBbind440aa, >1VRT_2|Chain... at 100%
1vruRCSB PDB    PDBbind440aa, >1VRU_2|Chain... at 100%
2b5jRCSB PDB    PDBbind430aa, >2B5J_2|Chain... at 99%
2banRCSB PDB    PDBbind430aa, >2BAN_2|Chain... at 99%
2be2RCSB PDB    PDBbind430aa, >2BE2_2|Chain... at 99%
2hnyRCSB PDB    PDBbind534aa, >2HNY_1|Chain... at 99%
2i5jRCSB PDB    PDBbind429aa, >2I5J_2|Chain... at 99%
2jleRCSB PDB    PDBbind566aa, >2JLE_1|Chains... *
2rf2RCSB PDB    PDBbind563aa, >2RF2_1|Chain... at 99%
2wonRCSB PDB    PDBbind440aa, >2WON_2|Chain... at 100%
3c6tRCSB PDB    PDBbind443aa, >3C6T_2|Chain... at 99%
3c6uRCSB PDB    PDBbind443aa, >3C6U_2|Chain... at 99%
3di6RCSB PDB    PDBbind440aa, >3DI6_2|Chain... at 100%
3drpRCSB PDB    PDBbind443aa, >3DRP_2|Chain... at 99%
3drrRCSB PDB    PDBbind443aa, >3DRR_2|Chain... at 99%
3drsRCSB PDB    PDBbind563aa, >3DRS_1|Chain... at 99%
3dyaRCSB PDB    PDBbind440aa, >3DYA_2|Chain... at 100%
3e01RCSB PDB    PDBbind440aa, >3E01_2|Chain... at 100%
3i0rRCSB PDB    PDBbind443aa, >3I0R_2|Chain... at 99%
3i0sRCSB PDB    PDBbind443aa, >3I0S_2|Chain... at 99%
3ig1RCSB PDB    PDBbind428aa, >3IG1_2|Chain... at 99%
3irxRCSB PDB    PDBbind428aa, >3IRX_2|Chain... at 99%
3is9RCSB PDB    PDBbind428aa, >3IS9_2|Chain... at 99%
3ithRCSB PDB    PDBbind427aa, >3ITH_2|Chains... at 99%
3lp0RCSB PDB    PDBbind443aa, >3LP0_2|Chain... at 99%
3lp1RCSB PDB    PDBbind563aa, >3LP1_1|Chain... at 99%
3lp2RCSB PDB    PDBbind443aa, >3LP2_2|Chain... at 99%
3m8pRCSB PDB    PDBbind440aa, >3M8P_2|Chain... at 100%
3m8qRCSB PDB    PDBbind440aa, >3M8Q_2|Chain... at 100%
3qipRCSB PDB    PDBbind440aa, >3QIP_2|Chain... at 100%
3qo9RCSB PDB    PDBbind428aa, >3QO9_2|Chain... at 99%
3t19RCSB PDB    PDBbind563aa, >3T19_1|Chains... at 99%
3t1aRCSB PDB    PDBbind563aa, >3T1A_1|Chains... at 99%
3tamRCSB PDB    PDBbind443aa, >3TAM_2|Chain... at 99%
4h4mRCSB PDB    PDBbind557aa, >4H4M_1|Chain... at 98%
4i7fRCSB PDB    PDBbind440aa, >4I7F_2|Chain... at 100%
4ncgRCSB PDB    PDBbind443aa, >4NCG_2|Chain... at 99%
4o4gRCSB PDB    PDBbind428aa, >4O4G_2|Chain... at 99%
4qagRCSB PDB    PDBbind133aa, >4QAG_1|Chains... at 96%
5c42RCSB PDB    PDBbind428aa, >5C42_2|Chain... at 99%
5tuqRCSB PDB    PDBbind429aa, >5TUQ_2|Chain... at 99%
5tw3RCSB PDB    PDBbind428aa, >5TW3_2|Chain... at 99%
5uv5RCSB PDB    PDBbind429aa, >5UV5_2|Chains... at 99%
5vqqRCSB PDB    PDBbind428aa, >5VQQ_2|Chain... at 99%
5vqrRCSB PDB    PDBbind428aa, >5VQR_2|Chain... at 99%
5vqsRCSB PDB    PDBbind428aa, >5VQS_2|Chain... at 99%
5vqtRCSB PDB    PDBbind428aa, >5VQT_2|Chain... at 99%
5vquRCSB PDB    PDBbind428aa, >5VQU_2|Chain... at 99%
5vqvRCSB PDB    PDBbind428aa, >5VQV_2|Chain... at 99%
5vqwRCSB PDB    PDBbind428aa, >5VQW_2|Chain... at 99%
5vqxRCSB PDB    PDBbind428aa, >5VQX_2|Chain... at 99%
5vqyRCSB PDB    PDBbind428aa, >5VQY_2|Chain... at 99%
5vqzRCSB PDB    PDBbind428aa, >5VQZ_2|Chain... at 99%
6c0nRCSB PDB    PDBbind428aa, >6C0N_2|Chain... at 99%
6c0rRCSB PDB    PDBbind428aa, >6C0R_2|Chain... at 99%
6dufRCSB PDB    PDBbind428aa, >6DUF_2|Chain... at 99%
6dugRCSB PDB    PDBbind428aa, >6DUG_2|Chain... at 99%
6duhRCSB PDB    PDBbind428aa, >6DUH_2|Chain... at 99%
6oe3RCSB PDB    PDBbind428aa, >6OE3_2|Chain... at 99%
6dtxRCSB PDB    PDBbind428aa, >6DTX_2|Chain... at 99%
6dtwRCSB PDB    PDBbind428aa, >6DTW_2|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4o44
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 reverse transcriptase, p66 subunit RT52A
Ligand Name2RS
EC.Number E.C.2.7.7.49
Resolution 2.89(Å)
Affinity (Kd/Ki/IC50)Ki=14nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochim.Biophys.Acta Vol. 1840: pp. 2203-2211
Ligand Properties
Formula C26H32N7O2
Molecular Weight 474.578
Exact Mass 474.262
No. of atoms 67
No. of bonds 70
Polar Surface Area 109.42
LOGP Value 4.86      (Computed with XLOGP3)
4.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P03366  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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