eF-site ID 6hwo-B PDB Code 6hwo Chain B click to enlarge Title Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 Classification HYDROLASE Compound cAMP-specific 3',5'-cyclic phosphodiesterase 4D Source (PDE4D_HUMAN) Sequence B:  VLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERD LLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQ STHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQ FLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQ NLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETK KVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYR QWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQV GFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTI P Description Functional site 1) chain B residue 210 type sequence Q description binding site for residue EDO B 501 source : AE4 2) chain B residue 213 type sequence I description binding site for residue EDO B 501 source : AE4 3) chain B residue 334 type sequence D description binding site for residue EDO B 502 source : AE5 4) chain B residue 338 type sequence E description binding site for residue EDO B 502 source : AE5 5) chain B residue 341 type sequence F description binding site for residue EDO B 502 source : AE5 6) chain B residue 365 type sequence V description binding site for residue EDO B 502 source : AE5 7) chain B residue 183 type sequence A description binding site for residue EDO B 503 source : AE6 8) chain B residue 184 type sequence V description binding site for residue EDO B 503 source : AE6 9) chain B residue 185 type sequence F description binding site for residue EDO B 503 source : AE6 10) chain B residue 286 type sequence M description binding site for residue EDO B 504 source : AE7 11) chain B residue 289 type sequence T description binding site for residue EDO B 504 source : AE7 12) chain B residue 290 type sequence K description binding site for residue EDO B 504 source : AE7 13) chain B residue 291 type sequence K description binding site for residue EDO B 504 source : AE7 14) chain B residue 299 type sequence L description binding site for residue EDO B 504 source : AE7 15) chain B residue 115 type sequence N description binding site for residue EDO B 505 source : AE8 16) chain B residue 155 type sequence A description binding site for residue EDO B 505 source : AE8 17) chain B residue 162 type sequence N description binding site for residue EDO B 505 source : AE8 18) chain B residue 163 type sequence I description binding site for residue EDO B 505 source : AE8 19) chain B residue 175 type sequence L description binding site for residue EDO B 506 source : AE9 20) chain B residue 178 type sequence T description binding site for residue EDO B 506 source : AE9 21) chain B residue 384 type sequence W description binding site for residue EDO B 506 source : AE9 22) chain B residue 388 type sequence V description binding site for residue EDO B 506 source : AE9 23) chain B residue 391 type sequence D description binding site for residue EDO B 506 source : AE9 24) chain B residue 374 type sequence D description binding site for residue EDO B 507 source : AF1 25) chain B residue 378 type sequence H description binding site for residue EDO B 507 source : AF1 26) chain B residue 164 type sequence H description binding site for residue ZN B 508 source : AF2 27) chain B residue 200 type sequence H description binding site for residue ZN B 508 source : AF2 28) chain B residue 201 type sequence D description binding site for residue ZN B 508 source : AF2 29) chain B residue 318 type sequence D description binding site for residue ZN B 508 source : AF2 30) chain B residue 218 type sequence E description binding site for residue EDO B 509 source : AF3 31) chain B residue 209 type sequence N description binding site for residue DMS B 510 source : AF4 32) chain B residue 210 type sequence Q description binding site for residue DMS B 510 source : AF4 33) chain B residue 152 type sequence H description binding site for residue PEG B 511 source : AF5 34) chain B residue 243 type sequence E description binding site for residue PEG B 511 source : AF5 35) chain B residue 273 type sequence M description binding site for residue FFZ B 512 source : AF6 36) chain B residue 319 type sequence L description binding site for residue FFZ B 512 source : AF6 37) chain B residue 336 type sequence I description binding site for residue FFZ B 512 source : AF6 38) chain B residue 357 type sequence M description binding site for residue FFZ B 512 source : AF6 39) chain B residue 368 type sequence S description binding site for residue FFZ B 512 source : AF6 40) chain B residue 369 type sequence Q description binding site for residue FFZ B 512 source : AF6 41) chain B residue 371 type sequence G description binding site for residue FFZ B 512 source : AF6 42) chain B residue 372 type sequence F description binding site for residue FFZ B 512 source : AF6 43) chain B residue 201 type sequence D description binding site for residue MG B 513 source : AF7 44) chain B residue 262 type sequence K description binding site for residue EDO B 514 source : AF8 45) chain B residue 266 type sequence D description binding site for residue EDO B 514 source : AF8 46) chain B residue 218 type sequence E description binding site for residue EDO B 515 source : AF9 47) chain B residue 105 type sequence H description binding site for residue EPE B 516 source : AG1 48) chain B residue 106 type sequence V description binding site for residue EPE B 516 source : AG1 49) chain B residue 107 type sequence F description binding site for residue EPE B 516 source : AG1 50) chain B residue 108 type sequence R description binding site for residue EPE B 516 source : AG1 51) chain B residue 111 type sequence E description binding site for residue EPE B 516 source : AG1 52) chain B residue 328 type sequence L description binding site for residue EPE B 516 source : AG1 53) chain B residue 331 type sequence Q description binding site for residue EPE B 516 source : AG1 54) chain B residue 389 type sequence H description binding site for residue EDO C 506 source : AG7 55) chain B residue 390 type sequence P description binding site for residue EDO C 506 source : AG7 56) chain B residue 290 type sequence K description binding site for residue EDO C 514 source : AH6 57) chain B residue 292 type sequence V description binding site for residue EDO C 514 source : AH6 58) chain B residue 217 type sequence S description binding site for residue EDO D 503 source : AH9 59) chain B residue 349 type sequence E description binding site for residue EDO D 518 source : AJ6 60) chain B residue 350 type sequence R description binding site for residue EDO D 518 source : AJ6 61) chain B residue 201 type BINDING sequence D description BINDING => ECO:0000269|PubMed:14609333, ECO:0007744|PDB:1PTW source Swiss-Prot : SWS_FT_FI5 62) chain B residue 372 type BINDING sequence F description BINDING => ECO:0000269|PubMed:14609333, ECO:0007744|PDB:1PTW source Swiss-Prot : SWS_FT_FI5 63) chain B residue 160 type ACT_SITE sequence H description Proton donor => ECO:0000250|UniProtKB:Q07343 source Swiss-Prot : SWS_FT_FI1 64) chain B residue 160 type BINDING sequence H description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7 source Swiss-Prot : SWS_FT_FI2 65) chain B residue 321 type BINDING sequence N description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7 source Swiss-Prot : SWS_FT_FI2 66) chain B residue 369 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7 source Swiss-Prot : SWS_FT_FI2 67) chain B residue 164 type BINDING sequence H description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:2PW3 source Swiss-Prot : SWS_FT_FI3 68) chain B residue 200 type BINDING sequence H description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:1XOR, ECO:0007744|PDB:2PW3 source Swiss-Prot : SWS_FT_FI4 69) chain B residue 318 type BINDING sequence D description BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:1XOR, ECO:0007744|PDB:2PW3 source Swiss-Prot : SWS_FT_FI4

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