Structure of PDB 7qqw Chain B

Receptor sequence

>7qqwB (length=1317) Species: 1314 (Streptococcus pyogenes)

KKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALL
FDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLE
ESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLR
LIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPIN
ASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNF
KSNFDQLSKDTYDDDLDNLLAQIGYADLFLAAKNLSDAILLSDILTEITK
APLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFDQSKNGYAGYID
GGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQRTFDNGSIPHQI
HLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGPLARGNSRFAW
MTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPNEKVLPKHSLL
YEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLLFKTNRKVTVKQL
KEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIKDKDFLDNEENED
ILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRRRYTGWGRLSR
KLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSLTFKEDIQKAQVS
GQGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPENIVIEMA
REKNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGRDM
YVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRSDKNRGKSDNVPS
EEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFIKRQLV
ETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFRKDFQF
YKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDYKATAKYFFY
SNIMNFFKTEKRPLIETNGETGEIVWDKGRDFATVRKVLSMPQVNIVKKT
EVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDSPTVAYSVLVVAK
VEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGYKEVKKDLIIKL
PKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFLYLASHYEKLSPE
DNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAYNKHRDK
PIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTKEVLDATLIHQ
SITGLYETRIDLSQLGG

3D structure

• PDB: 7qqw Structural basis for Cas9 off-target activity.
• Chain: B
• Resolution: 3.1 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 L35 G56 E57 T58 A59 T62 R63 K65 R66 R69 R70 R71 Y72 R74 R75 K76 N77 R78 Y81 L101 S104 F105 V107 R115 H116 I122 H129 I135 H160 K163 F164 R165 G166 Y325 H328 H329 L332 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 P475 K510 H721 K735 Q739 K742 R753 Q894 K1097 V1100 T1102 G1103 G1104 F1105 I1110 P1112 R1122 K1123 K1124 M1169 H1349 Q1350 S1351 Y1356	K31 L33 G54 E55 T56 A57 T60 R61 K63 R64 R67 R68 R69 Y70 R72 R73 K74 N75 R76 Y79 L99 S102 F103 V105 R113 H114 I120 H127 I133 H158 K161 F162 R163 G164 Y311 H314 H315 L318 K322 R326 F337 F338 Y345 I349 Q388 R389 T390 F391 N393 G394 F432 I434 Y436 G439 P440 L441 A442 R443 N445 S446 F448 W450 R453 T458 I459 P461 K496 H707 K721 Q725 K728 R739 Q872 K1049 V1052 T1054 G1055 G1056 F1057 I1062 P1064 R1074 K1075 K1076 M1121 H1299 Q1300 S1301 Y1306
BS02	dna	B	Y450 F491 M495 N497 W659 A728 R778 R895 R905 R925 Q926 H930 K1107 E1108 S1109 K1334	Y436 F477 M481 N483 W645 A714 R756 R873 R883 R903 Q904 H908 K1059 E1060 S1061 K1284
BS03	dna	B	K775 K1107 R1114 S1116 K1118 S1136 K1200 A1215 S1216 Q1221 A1320 R1333 R1335	K753 K1059 R1066 S1068 K1070 S1088 K1152 A1167 S1168 Q1173 A1270 R1283 R1285

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