Structure of PDB 5z49 Chain B Binding Site BS01

Receptor Information

>5z49 Chain B (length=220) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805)

HHHHHMGQLRLAVITTAKYFIPRLIGPFCQRYPGINVSLKVTNHEGLINR
INDNLDDLYVLSRPPSGFDITVQPFLDNPLVVVGPASHPLANQRGISLER
LAQEPFILRERGSGTREATEQLFAAHNLNLNVKLDLGSNEAIKQAILGGL
GLAVLSYHTLTSAGATPELKMFEVEGFPIHRQWHAVYPAGKQLSTVAATF
LDYLLTESQRIAADIQIPES

Ligand information

• Ligand ID: RUB
• InChI: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
• InChIKey: YAHZABJORDUQGO-NQXXGFSBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[C@H](CO[P](O)(O)=O)[C@@H](O)C(=O)CO[P](O)(O)=O
• Formula: C5 H12 O11 P2
• Name: RIBULOSE-1,5-DIPHOSPHATE
• PDB chain: 5z49 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5z49 Crystal structure of the effector-binding domain of Synechococcus elongatus CmpR in complex with ribulose 1,5-bisphosphate.
• Resolution: 2.148 Å
• Binding residue (original residue number in PDB): T102 K105 V128 S225 N226 E227
• Binding residue (residue number reindexed from 1): T15 K18 V41 S138 N139 E140
• Annotation score: 4

External links

• PDB: RCSB:5z49, PDBe:5z49, PDBj:5z49
• PDBsum: 5z49
• PubMed: 30084400
• UniProt: Q9F1R2|CMPR_SYNE7 HTH-type transcriptional activator CmpR (Gene Name=cmpR)