Structure of PDB 6ig0 Chain A Binding Site BS05

Receptor Information
>6ig0 Chain A (length=737) Species: 767463 (Streptococcus thermophilus ND03) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKEKIDLFYGALLHNIGKVIQRATGERKKHALVGADWFDEIADNQVISDQ
IRYHMANYQSDKLDHLAYITYIADNIASGVDRTYTNQADIFNVFGAQTDK
RYFKPTVLNLKSKPNFASATYEPFSKGDYAAIATRIKNELAEFEFNQVQI
DSLLNLFEATLSFVPSSTNTKEIADISLADHSRLTAAFALAIYDYLEDKG
RHNYKEDLFTKVSAFYEEEAFLLASFDLSGIQDFIYNINIATNGAAKQLK
ARSLYLDFMSEYIADSLLDKLGLNRANMLYVGGGHAYFVLANTEKTVETL
VQFEKDFNQFLLANFQTRLYVAFGWGSFAAKDIMSELNSPESYRQVYQKA
SRMISKKKISRYDYQTLMLLNRGGKSSERECEICHSVENLVSYHDQKVCD
ICRGLYQFSKEIAHDHFIITENEGLPIGPNACLKGVAFEKLSQEAFSRVY
VKNDYKAGTVKATHVFVGDYQCDEIYNYAALSKNENGLGIKRLAVVRLDV
DDLGAAFMAGFSQQGNGQYSTLSRSATFSRSMSLFFKVYINQFASDKKLS
IIYAGGDDVFAIGSWQDIIAFTVELRENFIKWTNGKLTLSAGIGLFADKT
PISLMAHQTGELEEAAKGNEKDSISLFSSDYTFKFDRFITNVYDDKLEQI
RYFFNHQDERGKNFIYKLIELLRNHDRMNMARLAYYLTRLEELTRETDRD
KFKTFKNLFYSWYTNKNDKDRKEAELALLLYIYEIRK
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6ig0 Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ig0 Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Resolution3.37 Å
Binding residue
(original residue number in PDB)		Y300 D519 V520 D521 D522 L523 G524 F527 M528 D577 K637
Binding residue
(residue number reindexed from 1)		Y280 D499 V500 D501 D502 L503 G504 F507 M508 D557 K617
Annotation score4
External links