Structure of PDB 7qqx Chain B

Receptor sequence

>7qqxB (length=1336) Species: 1314 (Streptococcus pyogenes)

KKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALL
FDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLE
ESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLR
LIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPIN
ASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNF
KSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILL
SDILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFF
DQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQ
RTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYV
GPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNL
PNEKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLL
FKTNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIK
DKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLK
RRRYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSL
TFKEDIQKAQVSGQGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMG
RHKPENIVIEMAREKNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEK
LYLYYLQNGRDMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRS
DKNRGKSDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSE
LDKAGFIKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKS
KLVSDFRKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVY
GDKATAKYFFYSNIMNFFKTEITLAEIRKRPLIETNGETGEIVWDKGRDF
ATVRKVLSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKK
YGGFDSPTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPID
FLEAKGYKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPS
KYVNFLYLASHYEKLKGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRV
ILADANLDKVLSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTT
IDRKRYTSTKEVLDATLIHQSITGLYETRIDLSQLG

3D structure

• PDB: 7qqx Structural basis for Cas9 off-target activity.
• Chain: B
• Resolution: 2.4 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	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 K163 F164 R165 G166 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 K510 Y515 T519 N588 R661 M694 H721 K735 Q739 K742 R783 Q894 K1097 V1100 T1102 G1103 G1104 F1105 I1110 R1122 K1123 K1124 W1126 K1130 Y1131 M1169 H1349 Q1350 S1351 Y1356	L33 G54 E55 T56 A57 T60 R61 K63 R64 R67 R68 R69 Y70 R72 R73 K74 N75 R76 Y79 L99 S102 F103 K109 R113 H114 I120 H127 T132 I133 K161 F162 R163 G164 Y323 H326 H327 K334 R338 F349 F350 Y357 I361 Q400 R401 T402 F403 N405 G406 F444 R445 I446 Y448 G451 P452 L453 A454 R455 N457 S458 F460 W462 R465 T470 I471 K508 Y513 T517 N586 R659 M692 H719 K733 Q737 K740 R773 Q884 K1067 V1070 T1072 G1073 G1074 F1075 I1080 R1092 K1093 K1094 W1096 K1100 Y1101 M1139 H1319 Q1320 S1321 Y1326
BS02	dna	B	Y450 F491 I492 M495 T496 N497 K526 G582 G658 W659 N692 M694 Q695 H698 A728 R919 R925 Q926 K1107 E1108 S1109 K1334 S1338	Y448 F489 I490 M493 T494 N495 K524 G580 G656 W657 N690 M692 Q693 H696 A726 R909 R915 Q916 K1077 E1078 S1079 K1304 S1308
BS03	dna	B	K1107 R1114 S1116 K1118 D1135 S1136 K1200 A1215 S1216 Q1221 A1320 R1333 R1335	K1077 R1084 S1086 K1088 D1105 S1106 K1170 A1185 S1186 Q1191 A1290 R1303 R1305

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