Structure of PDB 9cc3 Chain C Binding Site BS01

Receptor Information

>9cc3 Chain C (length=566) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QQRLGREVEEKIKQTHRKYLLQEQLKIIKKELGLEKDDKDAIEEKFRERL
KELVVPKHVMDVVDEELSKLGLLDNHSSEFNVTRNYLDWLTSIPWGKYSN
ENLDLARAQAVLEEDHYGMEDVKKRILEFIAVSQLRGSTQGKILCFYGPP
GVGKTSIARSIARALNREYFRFSVGGMTDVAEIKGHRRTYVGAMPGKIIQ
CLKKTKTENPLILIDEVDKIGRGDPSSALLELLDPEQNANFLDHYLDVPV
DLSKVLFICTANVTDTIPEPLRDRMEMINVSGYVAQEKLAIAERYLVPQA
RALCGLDESKAKLSSDVLTLLIKQYCRESGVRNLQKQVEKVLRKSAYKIV
SGEAESVEVTPENLQDFVGKPVFTVERMYDVTPPGVVMGLAWTAMGGSTL
FVETSLRRPQDKKDGSLEVTGQLGEVMKESARIAYTFARAFLMQHAPAND
YLVTSHIHLHVPEGATPKDGPSAGCTIVTALLSLAMGRPVRQNLAMTGEV
SLTGKILPVGGIKEKTIAAKRAGVTCIVLPAENKKDFYDLAAFITEGLEV
HFVEHYREIFDIAFPD

Ligand information

Ligand ID

ADP

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

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

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

9cc3 Chain C Residue 1001 [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	9cc3 Structural and mechanistic studies on human LONP1 redefine the hand-over-hand translocation mechanism.
Resolution	3.23 Å
Binding residue (original residue number in PDB)	H491 Y492 G526 V527 G528 K529 T530 S531 Y661 I669 R710
Binding residue (residue number reindexed from 1)	H116 Y117 G151 V152 G153 K154 T155 S156 Y283 I291 R332
Annotation score	4

External links

PDB	RCSB:9cc3, PDBe:9cc3, PDBj:9cc3
PDBsum	9cc3
PubMed	38979310
UniProt	P36776\|LONM_HUMAN Lon protease homolog, mitochondrial (Gene Name=LONP1)

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