Structure of PDB 4un3 Chain B

Receptor sequence

>4un3B (length=1306) Species: 1314 (Streptococcus pyogenes)

KYSIGLDIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALLF
DSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLEE
SFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLRL
IYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPINA
SGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNFK
SNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILLS
DILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFD
QSKNGYAGYIDGGASQEEFYKFIKPILEKMDTEELLVKLNREDLLRKQRT
FDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGP
LARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPN
EKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLLFK
TNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIKDK
DFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRR
RYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSLTF
KEDIQKSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPENIVIE
MARNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGRDM
YVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRSDKNRGKSDNVPS
EEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFIKRQLV
ETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFRKDFQF
YKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDGKATAKYFFY
SNIMNFFKTEIKRPLIETNGETGEIVWDKGRDFATVRKVLSMPQVNIVKK
TEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDSPTVAYSVLVVA
KVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGYKEVKKDLIIK
LPKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFLYLASHEQKQLF
VEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAYNKHRDKPIREQAEN
IIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTKEVLDATLIHQSITGLYET
RIDLSQ

3D structure

• PDB: 4un3 Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
• Chain: B
• Resolution: 2.593 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 E102 S104 F105 K111 R115 H116 I122 E125 V126 H129 T134 I135 H160 K163 F164 R165 G166 H167 Y325 H328 H329 K336 R340 F351 F352 Y359 A360 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 T893 K1097 E1099 V1100 T1102 G1103 G1104 F1105 I1110 L1111 P1112 R1122 K1123 K1124 W1126 Y1131 M1169 H1349 Q1350 S1351 Y1356 T1358	K30 G53 E54 T55 A56 T59 R60 K62 R63 R66 R67 R68 Y69 R71 R72 K73 N74 Y78 L98 E99 S101 F102 K108 R112 H113 I119 E122 V123 H126 T131 I132 H157 K160 F161 R162 G163 H164 Y322 H325 H326 K333 R337 F348 F349 Y356 A357 I360 K397 Q398 R399 T400 F401 N403 G404 F442 R443 I444 Y446 G449 P450 L451 A452 R453 N455 S456 F458 W460 R463 T468 I469 P471 K506 Y511 T515 N584 R657 M690 H709 K723 Q727 K730 T871 K1050 E1052 V1053 T1055 G1056 G1057 F1058 I1063 L1064 P1065 R1075 K1076 K1077 W1079 Y1084 M1122 H1291 Q1292 S1293 Y1298 T1300
BS02	dna	B	Y450 F491 M495 N497 K526 E584 W659 N692 Q695 H698 R778 R925 Q926 K1107 E1108 S1109 K1334	Y446 F487 M491 N493 K522 E580 W655 N688 Q691 H694 R756 R903 Q904 K1060 E1061 S1062 K1276
BS03	dna	B	R1114 S1116 K1118 D1135 S1136 K1200 S1216 Q1221 A1320 R1333 R1335	R1067 S1069 K1071 D1088 S1089 K1153 S1169 Q1174 A1262 R1275 R1277
BS04	MG	B	D10 E762	D7 E750
BS05	MG	B	L623 T624 F626 Y656	L619 T620 F622 Y652
BS06	MG	B	Q1350 S1351	Q1292 S1293
BS07	MG	B	E584 R586	E580 R582

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:4un3, PDBe:4un3, PDBj:4un3
• PDBsum: 4un3
• PubMed: 25079318
• UniProt: Q99ZW2|CAS9_STRP1 CRISPR-associated endonuclease Cas9/Csn1 (Gene Name=cas9)