Structure of PDB 8xku Chain A Binding Site BS02

Receptor Information

>8xku Chain A (length=730) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KLRETERERLSNMEELERKANVQLERQLVMASDWSRTLLTMRGKLKGTEW
DPETSHRINFSDFMKLLDSNSVQYMEYSNYGQTISVILPYYKKEIIFRRH
IVDRMPIDGWNDVWKKLHQQIVNVEVFNVDVVPAEVYTTVATFVVWSMRL
ALFVSLYVWIDSITRPIYLGSLGKSRAKFISAEEKTGVTFDDFAGQEYIK
RELQEIVRILKNDEEFQNKGIYCPKGVLLHGPPGTGKTLLAKAIAGEAGL
PFFAANGTDFVEMFVGVAASRVKDLFASSRSYAPSIIFIDEIDAIGSKRG
GPDIGGGGAEREQGLLQILTEMDGFKVTTSQVLVIGATNRLDILDPALLR
KGRFDKIIRVGLPSKDGRLAILKVHARNKFFRSEDEKEELLQEVAENTED
FTGAELQNVLNEAGILTARKDLDYIGREELLEALKRQKGTFETGQEDSTE
VPEELKLRLAYREAAVAVLACYLPDQYRPISETDINSIRSQPNMRYSETS
GRVFARKSDYVNSIIRACAPRVVEEEMFGIENLCWISAKSTLEASQRAEF
LILQTGMTAFGKAYYRNQRDLVPNLVPKLEALRDEYMRFAVEKCSSILQE
YQSALEEITDVLLEKGEIKADEIWNIYNTAPRIPQKPVRPVDEYGALIYA
GRWGIHGVSLPGRVTFSPGNIGFATFGAPRPMETQIISDDTWKLVDEIWD
KKVEEIKAEAVIQIEEEKKKPQILMATHFF

Ligand information

Ligand ID

ATP

InChI

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C10 H16 N5 O13 P3

Name

ADENOSINE-5'-TRIPHOSPHATE

PDB chain

8xku Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8xku Structural insights into the chloroplast protein import in land plants.
Resolution	3.2 Å
Binding residue (original residue number in PDB)	F318 A319 G359 T360 G361 K362 T363 L364 N464 I496 H500 Q532
Binding residue (residue number reindexed from 1)	F193 A194 G234 T235 G236 K237 T238 L239 N339 I371 H375 Q407
Annotation score	4

External links

PDB	RCSB:8xku, PDBe:8xku, PDBj:8xku
PDBsum	8xku
PubMed	39197452
UniProt	F4KF14\|FTSI4_ARATH Probable inactive ATP-dependent zinc metalloprotease FTSHI 4, chloroplastic (Gene Name=FTSHI4)

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