Structure of PDB 7qr0 Chain B Binding Site BS01

Receptor Information
>7qr0 Chain B (length=1333) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGAL
LFDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRL
EESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADL
RLIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPI
NASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPN
FKSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAIL
LSDILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIF
FDQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRK
QRTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYY
VGPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKN
LPNEKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDL
LFKTNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKII
KDKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQL
KRRRYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDS
LTFKEDIQKAQVSGQGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVM
GRHKPENIVIEMAREKNSRERMKRIEEGIKELGSQILKEHPVENTQLQNE
KLYLYYLQNGRDMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTR
SDKNRGKSDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLS
ELDKAGFIKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLK
SKLVSDFRKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFV
YGDKATAKYFFYSNIMNFFKTEITLIRKRPLIETNGETGEIVWDKGRDFA
TVRKVLSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKY
GGFDSPTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDF
LEAKGYKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPSK
YVNFLYLASHYKGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILAD
ANLDKVLSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRK
RYTSTKEVLDATLIHQSITGLYETRIDLSQLGG
Ligand information
>7qr0 Chain A (length=82) [Search RNA sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
agagucucucagcugguacaguuuuagagcuagaaauagcaaguuaaaau
aaggcuaguccguuaucaacuugaaaaaguga
....................<<<<<<..<<<<....>>>>....>>>>>>
..<<.....>>.......<<<<....>>>>..
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7qr0 Structural basis for Cas9 off-target activity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K33 L35 G56 E57 T58 A59 T62 R63 K65 R66 R69 R70 R71 Y72 R74 R75 K76 N77 R78 Y81 L101 S104 F105 K111 R115 H116 I122 H129 T134 I135 H160 K163 F164 R165 G166 Y325 H328 H329 K336 R340 F351 F352 Y359 I363 Q402 R403 T404 F405 N407 G408 F446 I448 Y450 G453 P454 L455 A456 R457 N459 S460 F462 W464 R467 T472 I473 K510 Y515 T519 N588 R661 M694 H721 K735 Q739 K742 K929 K1097 E1099 V1100 T1102 G1103 G1104 F1105 I1110 P1112 R1122 K1123 K1124 W1126 K1130 Y1131 M1169 H1349 Q1350 Y1356 E1357
Binding residue
(residue number reindexed from 1)		K32 L34 G55 E56 T57 A58 T61 R62 K64 R65 R68 R69 R70 Y71 R73 R74 K75 N76 R77 Y80 L100 S103 F104 K110 R114 H115 I121 H128 T133 I134 H159 K162 F163 R164 G165 Y324 H327 H328 K335 R339 F350 F351 Y358 I362 Q401 R402 T403 F404 N406 G407 F445 I447 Y449 G452 P453 L454 A455 R456 N458 S459 F461 W463 R466 T471 I472 K509 Y514 T518 N587 R660 M693 H720 K734 Q738 K741 K920 K1066 E1068 V1069 T1071 G1072 G1073 F1074 I1079 P1081 R1091 K1092 K1093 W1095 K1099 Y1100 M1138 H1315 Q1316 Y1322 E1323
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004520 DNA endonuclease activity
GO:0004527 exonuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0046872 metal ion binding
Biological Process
GO:0043571 maintenance of CRISPR repeat elements
GO:0051607 defense response to virus

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qr0, PDBe:7qr0, PDBj:7qr0
PDBsum7qr0
PubMed36306733
UniProtQ99ZW2|CAS9_STRP1 CRISPR-associated endonuclease Cas9/Csn1 (Gene Name=cas9)

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