Structure of PDB 7qqt Chain B

Receptor sequence

>7qqtB (length=1333) Species: 1314 (Streptococcus pyogenes)

DKKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGAL
LFDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRL
EESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADL
RLIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPI
NASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPN
FKSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAIL
LSDILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIF
FDQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRK
QRTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYY
VGPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKN
LPNEKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDL
LFKTNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKII
KDKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQL
KRRRYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDS
LTFKEDIQKAQVSGQGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVM
GRHKPENIVIEMARENKNSRERMKRIEEGIKELGSQILKEHPVENTQLQN
EKLYLYYLQNGRDMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLT
RSDKNRGKSDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGL
SELDKAGFIKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITL
KSKLVSDFRKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEF
VYGDKATAKYFFYSNIMNFFKTEITLKRPLIETNGETGEIVWDKGRDFAT
VRKVLSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYG
GFDSPTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFL
EAKGYKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPSKY
VNFLYLASHYEKGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILAD
ANLDKVLSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRK
RYTSTKEVLDATLIHQSITGLYETRIDLSQLGG

3D structure

• PDB: 7qqt Structural basis for Cas9 off-target activity.
• Chain: B
• Resolution: 2.5 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 K111 R115 H116 I122 H129 T134 I135 H160 K163 F164 R165 G166 H167 Y325 H328 H329 K336 R340 F351 F352 Y359 I363 K401 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 T519 N588 R661 M694 H721 K735 Q739 K742 R783 Q894 K929 E1007 D1012 K1097 E1099 V1100 T1102 G1103 G1104 F1105 I1110 P1112 R1122 K1123 K1124 K1130 Y1131 M1169 H1349 Q1350 S1351 Y1356	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 H166 Y324 H327 H328 K335 R339 F350 F351 Y358 I362 K400 Q401 R402 T403 F404 N406 G407 F445 R446 I447 Y449 G452 P453 L454 A455 R456 N458 S459 F461 W463 R466 T471 I472 P474 K509 Y514 T518 N587 R660 M693 H720 K734 Q738 K741 R775 Q886 K921 E999 D1004 K1065 E1067 V1068 T1070 G1071 G1072 F1073 I1078 P1080 R1090 K1091 K1092 K1098 Y1099 M1137 H1315 Q1316 S1317 Y1322
BS02	dna	B	Y450 F491 I492 M495 T496 N497 K526 G582 G658 W659 N692 M694 Q695 H698 A728 R778 R919 R925 Q926 K1107 E1108 S1109 K1334	Y449 F490 I491 M494 T495 N496 K525 G581 G657 W658 N691 M693 Q694 H697 A727 R770 R911 R917 Q918 K1075 E1076 S1077 K1300
BS03	dna	B	K1107 R1114 S1116 S1136 K1200 A1215 S1216 Q1221 A1320 R1333 R1335	K1075 R1082 S1084 S1104 K1168 A1183 S1184 Q1189 A1286 R1299 R1301

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