Structure of PDB 6ai6 Chain A

Receptor sequence

>6ai6A (length=1322) Species: 301447 (Streptococcus pyogenes serotype M1)

KKYSIGLDIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALL
FDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLE
ESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLR
LIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPIN
ASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNF
KSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILL
SDILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFF
DQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQ
RTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYV
GPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNL
PNEKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLL
FKTNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIK
DKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLK
RRRYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSL
TFKEDIQKAQDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPE
NIVIEMARNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQ
NGRDMYVDQELDINRLSDYDVDHIVPQSFLKDDSIDNKVLTRSDKARGKS
DNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFI
KRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFR
KDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGATAKYF
FYSNIMNFFKTEITLANGEIRKRPLIETNGETGEIVWDKGRDFATVRKVL
SMPQVNIVKKTEVQTGGFSKESIRPKRNSDKLIARKKDWDPKKYGGFVSP
TVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGY
KEVKKDLIIKLPKYSLFELENGRKRMLASARFLQKGNELALPSKYVNFLY
LASHYEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAY
NKHRDKPIREQAENIIHLFTLTNLGAPRAFKYFDTTIDRKVYRSTKEVLD
ATLIHQSITGLYETRIDLSQLG

3D structure

• PDB: 6ai6 Engineered CRISPR-Cas9 nuclease with expanded targeting space
• Chain: A
• Resolution: 2.7 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	A	K33 L35 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 H167 Y325 H328 H329 K336 R340 F351 F352 Y359 I363 K401 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 Q739 K742 K929 K1097 E1099 V1100 T1102 G1103 G1104 F1105 I1110 P1112 K1113 R1122 K1123 K1124 W1126 K1130 Y1131 M1169 H1349 Q1350 Y1356	K31 L33 G54 E55 T56 A57 T60 R61 K63 R64 R67 R68 R69 Y70 R72 R73 K74 N75 Y79 L99 S102 F103 K109 R113 H114 I120 H127 T132 I133 H158 K161 F162 R163 G164 H165 Y323 H326 H327 K334 R338 F349 F350 Y357 I361 K399 Q400 R401 T402 F403 N405 F444 R445 I446 Y448 G451 P452 L453 A454 R455 N457 S458 F460 W462 R465 T470 I471 P473 K508 Y513 T517 N586 R659 M692 H714 K728 Q732 K735 K912 K1060 E1062 V1063 T1065 G1066 G1067 F1068 I1073 P1075 K1076 R1085 K1086 K1087 W1089 K1093 Y1094 M1132 H1305 Q1306 Y1312
BS02	dna	A	Y450 M495 N497 K526 G582 W659 R661 N692 M694 Q695 H698 R925 Q926 K1107 E1108 S1109 K1334 R1337 S1338	Y448 M493 N495 K524 G580 W657 R659 N690 M692 Q693 H696 R908 Q909 K1070 E1071 S1072 K1290 R1293 S1294
BS03	dna	A	R1114 S1116 K1118 S1136 K1200 S1216 F1219 Q1221 A1320 R1333 R1337	R1077 S1079 K1081 S1099 K1163 S1179 F1182 Q1184 A1276 R1289 R1293

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• 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:6ai6, PDBe:6ai6, PDBj:6ai6
• PDBsum: 6ai6
• PubMed: 30166441
• UniProt: Q99ZW2|CAS9_STRP1 CRISPR-associated endonuclease Cas9/Csn1 (Gene Name=cas9)