Structure of PDB 6k57 Chain B

Receptor sequence

>6k57B (length=1315) Species: 301447 (Streptococcus pyogenes serotype M1)

KYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALLF
DSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLEE
SFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLRL
IYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPINA
SGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNFK
SNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILLS
DILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFD
QSKNGYAGYIDGGASQEEFYKFIKPILEKMTEELLVKLNREDLLRKQRTF
DNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGPL
ARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPNE
KVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLLFKT
NRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIKDKD
FLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRRR
YTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSLTFK
EDIQKAQVSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPENIV
IEMARNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGR
DMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRSDKNRGKSDNV
PSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFIKRQ
LVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFRKDF
QFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDGKATAKYF
FYSNIMNFFKTEIKRPLIETNGETGEIVWDKGRDFATVRKVLSMPQVNIV
KKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDSPTVAYSVLV
VAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGYKEVKKDLI
IKLPKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFLYLASHYGSP
EDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAYNKHRD
KPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTKEVLDATLIH
QSITGLYETRIDLSQ

3D structure

• PDB: 6k57 Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
• Chain: B
• Resolution: 2.98 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 G56 E57 T58 A59 T62 R63 K65 R66 R69 R70 R71 Y72 R74 R75 K76 N77 Y81 L101 S104 F105 K111 R115 H116 I122 H129 T134 I135 H160 K163 F164 R165 G166 Y325 H328 H329 K336 R340 F351 F352 Y359 A360 I363 Q402 R403 T404 F405 N407 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 K749 R753 T893 K1097 E1099 V1100 G1103 G1104 F1105 I1110 R1122 K1123 K1124 W1126 Y1131 M1169 H1349 Q1350 S1351 Y1356 E1357 T1358	K30 G53 E54 T55 A56 T59 R60 K62 R63 R66 R67 R68 Y69 R71 R72 K73 N74 Y78 L98 S101 F102 K108 R112 H113 I119 H126 T131 I132 H157 K160 F161 R162 G163 Y322 H325 H326 K333 R337 F348 F349 Y356 A357 I360 Q397 R398 T399 F400 N402 F441 R442 I443 Y445 G448 P449 L450 A451 R452 N454 S455 F457 W459 R462 T467 I468 P470 K505 Y510 T514 N583 R656 M689 H711 K725 K739 R743 T873 K1052 E1054 V1055 G1058 G1059 F1060 I1065 R1077 K1078 K1079 W1081 Y1086 M1124 H1300 Q1301 S1302 Y1307 E1308 T1309
BS02	dna	B	L169 Y450 M495 T496 N497 K526 G582 N588 E627 W659 N692 M694 Q695 H698 R778 R925 Q926 K1107 E1108 S1109 K1334	L166 Y445 M490 T491 N492 K521 G577 N583 E622 W654 N687 M689 Q690 H693 R758 R905 Q906 K1062 E1063 S1064 K1285
BS03	dna	B	K1107 R1114 K1118 S1136 K1200 A1215 S1216 Q1221 A1320 R1333 R1335	K1062 R1069 K1073 S1091 K1155 A1170 S1171 Q1176 A1271 R1284 R1286

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:6k57, PDBe:6k57, PDBj:6k57
• PDBsum: 6k57
• PubMed: 31603896
• UniProt: Q99ZW2|CAS9_STRP1 CRISPR-associated endonuclease Cas9/Csn1 (Gene Name=cas9)