Structure of PDB 7qr7 Chain B

Receptor sequence

>7qr7B (length=1326) Species: 1314 (Streptococcus pyogenes)

KKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALL
FDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLE
ESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLR
LIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPIN
ASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNF
KSNFDLAEDAKLQLSTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILLSD
ILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFDQ
SKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQRT
FDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGP
LARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPN
EKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLLFK
TNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIKDK
DFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRR
RYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSLTF
KEDIQKAQVGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPE
NIVIEMARENSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYL
QNGRDMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRSDKNRGK
SDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGF
IKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDF
RKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDKATA
KYFFYSNIMNFFKTEITLAEIRKRPLIETNGETGEIVWDKGRDFATVRKV
LSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDS
PTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKG
YKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFL
YLASHYGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKV
LSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTK
EVLDATLIHQSITGLYETRIDLSQLG

3D structure

• PDB: 7qr7 Structural basis for Cas9 off-target activity.
• Chain: B
• Resolution: 3.0 Å

Enzymatic activity

• Enzyme Commision number: 3.1.-.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	rna	B	K33 E57 T58 A59 T62 R63 R66 R69 R70 R71 Y72 R74 R75 K76 N77 Y81 L101 S104 F105 K111 R115 H116 I122 V126 H129 P133 T134 I135 H160 K163 F164 R165 G166 H167 Y325 H328 H329 K336 R340 F351 F352 Y359 I363 Q402 R403 T404 F405 N407 G408 F446 R447 I448 Y450 G453 P454 L455 A456 R457 N459 S460 F462 W464 R467 T472 I473 P475 K510 Y515 N588 R661 M694 H721 S730 K735 Q739 K742 R753 Q894 K1097 E1099 V1100 T1102 G1103 G1104 F1105 I1110 P1112 K1113 R1122 K1123 K1124 K1130 Y1131 M1169 H1349 Q1350 S1351 Y1356	K31 E55 T56 A57 T60 R61 R64 R67 R68 R69 Y70 R72 R73 K74 N75 Y79 L99 S102 F103 K109 R113 H114 I120 V124 H127 P131 T132 I133 H158 K161 F162 R163 G164 H165 Y321 H324 H325 K332 R336 F347 F348 Y355 I359 Q398 R399 T400 F401 N403 G404 F442 R443 I444 Y446 G449 P450 L451 A452 R453 N455 S456 F458 W460 R463 T468 I469 P471 K506 Y511 N584 R657 M690 H714 S723 K728 Q732 K735 R746 Q878 K1061 E1063 V1064 T1066 G1067 G1068 F1069 I1074 P1076 K1077 R1086 K1087 K1088 K1094 Y1095 M1133 H1309 Q1310 S1311 Y1316
BS02	dna	B	L169 Y450 M495 N497 K526 G582 G658 W659 N692 M694 Q695 H698 R919 R925 Q926 K1107 E1108 S1109 K1334 S1338	L167 Y446 M491 N493 K522 G578 G654 W655 N688 M690 Q691 H694 R903 R909 Q910 K1071 E1072 S1073 K1294 S1298
BS03	dna	B	K1107 R1114 S1116 K1118 D1135 S1136 P1137 K1200 S1216 Q1221 A1320 R1333 R1335	K1071 R1078 S1080 K1082 D1099 S1100 P1101 K1164 S1180 Q1185 A1280 R1293 R1295

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

External links

• PDB: RCSB:7qr7, PDBe:7qr7, PDBj:7qr7
• PDBsum: 7qr7
• PubMed: 36306733
• UniProt: Q99ZW2|CAS9_STRP1 CRISPR-associated endonuclease Cas9/Csn1 (Gene Name=cas9)