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Structure of PDB 6huz Chain A Binding Site BS02

Receptor Information
>6huz Chain A (length=354) Species: 868864 (Desulfurobacterium thermolithotrophum DSM 11699) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVTVYGFGSLNYYSNKLNVPEKLGGEPPYGGSAMAVEFAKAGHDVTLSD
PNIDKVPDEIRKKVEDAGVKLTTDDIEAAKEAEVAILFTPFRGGVTFKIA
ETILPYLVENAVICTTCTMSILVLNSYLQNAIFLEGREDIGFSTMHPAAI
PGTPQHKHYLIATNELLRKPIVTEEQIEKLKKLATDTGKEAYLLPAELVS
PVGDMGIVTTAIAFAGAIEYYKVSRDILKTKRSMTEFQIAQSLQVISSLV
TKYGLEGLIKLLNVDAMKASLQSMILDKNEQPLTVTASKLLEKIEETIPE
LIKEAENFSPSEPTYTSAPSPMLVEHMEDLVGDDVLKGILRESWKKFNVS
ERNK
Ligand information
Ligand IDGUE
InChIInChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1
InChIKeyMEANFMOQMXYMCT-OLZOCXBDSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C([N+]3=C2)C(=O)N=C(N4)N
CACTVS 3.385NC1=NC(=O)C2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N
CACTVS 3.385NC1=NC(=O)C2=C(NC[C@@H]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1
FormulaC20 H22 N7 O6
Name5,10-Methenyltetrahydrofolate
ChEMBL
DrugBank
ZINCZINC000004228270
PDB chain6huz Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6huz The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y13 K17 F91 A148 I150 G203 D204 M205
Binding residue
(residue number reindexed from 1)		Y13 K17 F91 A148 I150 G203 D204 M205
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links

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