4H03
Crystal structure of NAD+-Ia-actin complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005576 | cellular_component | extracellular region |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0001725 | cellular_component | stress fiber |
| B | 0003785 | molecular_function | actin monomer binding |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005523 | molecular_function | tropomyosin binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005856 | cellular_component | cytoskeleton |
| B | 0005865 | cellular_component | striated muscle thin filament |
| B | 0005884 | cellular_component | actin filament |
| B | 0010628 | biological_process | positive regulation of gene expression |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019904 | molecular_function | protein domain specific binding |
| B | 0030027 | cellular_component | lamellipodium |
| B | 0030041 | biological_process | actin filament polymerization |
| B | 0030175 | cellular_component | filopodium |
| B | 0030240 | biological_process | skeletal muscle thin filament assembly |
| B | 0031013 | molecular_function | troponin I binding |
| B | 0031432 | molecular_function | titin binding |
| B | 0031941 | cellular_component | filamentous actin |
| B | 0032036 | molecular_function | myosin heavy chain binding |
| B | 0032432 | cellular_component | actin filament bundle |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0044297 | cellular_component | cell body |
| B | 0048306 | molecular_function | calcium-dependent protein binding |
| B | 0048741 | biological_process | skeletal muscle fiber development |
| B | 0051017 | biological_process | actin filament bundle assembly |
| B | 0090131 | biological_process | mesenchyme migration |
| B | 0098723 | cellular_component | skeletal muscle myofibril |
| B | 0140660 | molecular_function | cytoskeletal motor activator activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE NAD A 501 |
| Chain | Residue |
| A | TYR251 |
| A | THR339 |
| A | ARG352 |
| A | GLU380 |
| A | EDO508 |
| A | EDO520 |
| A | HOH697 |
| A | HOH731 |
| A | HOH757 |
| B | EDO407 |
| A | ARG295 |
| A | ARG296 |
| A | GLY298 |
| A | GLN300 |
| A | GLU301 |
| A | TYR333 |
| A | ASN335 |
| A | SER338 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 502 |
| Chain | Residue |
| A | ARG5 |
| A | TRP19 |
| A | GLU23 |
| A | ILE85 |
| A | ASP86 |
| A | HOH704 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 503 |
| Chain | Residue |
| A | TYR294 |
| A | ARG296 |
| A | SER340 |
| A | GLY342 |
| A | SER343 |
| A | VAL344 |
| A | PHE349 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 504 |
| Chain | Residue |
| A | MET346 |
| A | SER347 |
| A | ALA348 |
| B | MET176 |
| B | ARG177 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 505 |
| Chain | Residue |
| A | TYR60 |
| A | ASP61 |
| A | MET346 |
| A | SER347 |
| A | HOH740 |
| B | LYS284 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 506 |
| Chain | Residue |
| A | ASP395 |
| A | SER396 |
| A | HOH709 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 507 |
| Chain | Residue |
| A | ALA101 |
| A | ASN103 |
| A | LYS323 |
| A | GLU327 |
| A | EDO516 |
| A | HOH685 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 508 |
| Chain | Residue |
| A | ASP32 |
| A | THR33 |
| A | ILE331 |
| A | THR332 |
| A | TYR333 |
| A | NAD501 |
| A | HOH649 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 509 |
| Chain | Residue |
| A | ILE80 |
| A | THR164 |
| A | GLY165 |
| A | ILE179 |
| A | GLU180 |
| A | ASP182 |
| A | HOH610 |
| A | HOH648 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 510 |
| Chain | Residue |
| A | ILE17 |
| A | ASP174 |
| A | VAL175 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 511 |
| Chain | Residue |
| A | LYS11 |
| A | GLU143 |
| A | GLY145 |
| A | HOH677 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 512 |
| Chain | Residue |
| A | LYS362 |
| A | ASP363 |
| A | HOH687 |
| B | LYS238 |
| B | SER239 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 513 |
| Chain | Residue |
| A | TYR42 |
| A | SER46 |
| A | TYR169 |
| A | ASN171 |
| A | LYS176 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 514 |
| Chain | Residue |
| A | LYS398 |
| A | GLY400 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 515 |
| Chain | Residue |
| A | GLN133 |
| A | ASP134 |
| A | TYR183 |
| A | ASP212 |
| A | ARG357 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 516 |
| Chain | Residue |
| A | ALA101 |
| A | ASN103 |
| A | LYS104 |
| A | EDO507 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 517 |
| Chain | Residue |
| A | TYR200 |
| A | ARG107 |
| A | GLU109 |
| A | LYS150 |
| A | PRO151 |
| A | LYS198 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 518 |
| Chain | Residue |
| A | ASN90 |
| A | HIS157 |
| A | GLU204 |
| A | ALA205 |
| A | HOH682 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 519 |
| Chain | Residue |
| A | LEU306 |
| A | SER308 |
| A | PRO309 |
| A | ASP312 |
| A | LYS353 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 520 |
| Chain | Residue |
| A | TYR246 |
| A | ASN255 |
| A | ARG295 |
| A | PHE336 |
| A | ILE337 |
| A | SER338 |
| A | NAD501 |
| A | HOH757 |
| site_id | CC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 521 |
| Chain | Residue |
| A | GLN54 |
| A | ASP134 |
| A | PHE136 |
| A | LYS137 |
| A | GLN181 |
| A | HOH617 |
| A | HOH622 |
| A | HOH747 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 522 |
| Chain | Residue |
| A | ALA348 |
| B | MET269 |
| B | GLU270 |
| B | EDO407 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 523 |
| Chain | Residue |
| A | SER210 |
| A | LEU211 |
| A | ASP212 |
| A | LYS219 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 524 |
| Chain | Residue |
| A | ASP61 |
| A | GLU65 |
| A | ASP215 |
| A | EDO525 |
| A | HOH647 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 525 |
| Chain | Residue |
| A | GLU70 |
| A | LYS74 |
| A | EDO524 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 401 |
| Chain | Residue |
| B | ATP402 |
| B | HOH522 |
| B | HOH523 |
| B | HOH525 |
| B | HOH526 |
| B | HOH527 |
| site_id | CC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE ATP B 402 |
| Chain | Residue |
| B | GLY13 |
| B | SER14 |
| B | GLY15 |
| B | LEU16 |
| B | LYS18 |
| B | GLY156 |
| B | ASP157 |
| B | GLY158 |
| B | VAL159 |
| B | GLY182 |
| B | ARG210 |
| B | LYS213 |
| B | GLU214 |
| B | GLY301 |
| B | GLY302 |
| B | THR303 |
| B | MET305 |
| B | TYR306 |
| B | LYS336 |
| B | CA401 |
| B | EDO422 |
| B | HOH517 |
| B | HOH519 |
| B | HOH522 |
| B | HOH523 |
| B | HOH527 |
| B | HOH528 |
| B | HOH529 |
| B | HOH562 |
| B | HOH563 |
| site_id | DC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE LAR B 403 |
| Chain | Residue |
| B | GLY15 |
| B | LEU16 |
| B | PRO32 |
| B | ASP56 |
| B | GLN59 |
| B | TYR69 |
| B | ASP157 |
| B | ARG183 |
| B | THR186 |
| B | ARG206 |
| B | GLU207 |
| B | ARG210 |
| B | HOH559 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 404 |
| Chain | Residue |
| B | HIC73 |
| B | GLY158 |
| B | ASP179 |
| B | ASP184 |
| B | HOH585 |
| site_id | DC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 405 |
| Chain | Residue |
| B | ARG183 |
| B | ARG206 |
| site_id | DC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 406 |
| Chain | Residue |
| B | ILE267 |
| B | HOH573 |
| B | HOH584 |
| site_id | DC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 407 |
| Chain | Residue |
| A | PRO299 |
| A | ARG352 |
| A | NAD501 |
| A | EDO522 |
| B | GLY268 |
| B | GLU270 |
| B | HOH594 |
| site_id | DC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 408 |
| Chain | Residue |
| B | SER141 |
| B | LEU142 |
| B | SER145 |
| B | VAL298 |
| B | MET299 |
| B | PRO332 |
| B | ARG335 |
| B | SER338 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 409 |
| Chain | Residue |
| B | MET283 |
| B | ARG290 |
| B | TYR294 |
| B | PRO322 |
| B | EDO427 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 410 |
| Chain | Residue |
| B | THR318 |
| B | ALA321 |
| B | PRO322 |
| B | SER323 |
| B | MET325 |
| B | ILE327 |
| site_id | DC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 411 |
| Chain | Residue |
| A | PHE2 |
| A | GLU4 |
| A | ARG5 |
| B | SER145 |
| B | EDO412 |
| site_id | EC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 412 |
| Chain | Residue |
| A | GLU4 |
| A | ARG5 |
| A | LYS87 |
| B | SER145 |
| B | EDO411 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 413 |
| Chain | Residue |
| B | ARG147 |
| B | THR148 |
| B | THR149 |
| B | ASN296 |
| site_id | EC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 414 |
| Chain | Residue |
| B | ARG62 |
| B | TYR166 |
| B | ALA204 |
| B | ASP288 |
| B | ASP292 |
| B | HOH540 |
| site_id | EC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 415 |
| Chain | Residue |
| B | CYS285 |
| B | ASP286 |
| B | HOH502 |
| B | HOH606 |
| site_id | EC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 416 |
| Chain | Residue |
| B | HIS87 |
| B | PHE127 |
| B | EDO417 |
| site_id | EC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 417 |
| Chain | Residue |
| B | TYR91 |
| B | GLU99 |
| B | THR126 |
| B | PHE127 |
| B | SER350 |
| B | EDO416 |
| B | HOH554 |
| site_id | EC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 418 |
| Chain | Residue |
| B | PRO243 |
| B | ASP244 |
| B | LYS326 |
| B | EDO419 |
| site_id | EC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 419 |
| Chain | Residue |
| B | TYR198 |
| B | SER199 |
| B | PHE200 |
| B | EDO418 |
| site_id | EC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 420 |
| Chain | Residue |
| B | ARG210 |
| B | ASP211 |
| B | HOH565 |
| site_id | FC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 421 |
| Chain | Residue |
| B | ARG196 |
| B | ALA230 |
| B | SER233 |
| B | GLU237 |
| B | GLY251 |
| B | ASN252 |
| B | HOH538 |
| site_id | FC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 422 |
| Chain | Residue |
| B | LYS213 |
| B | GLU214 |
| B | CYS217 |
| B | MET305 |
| B | TYR306 |
| B | PRO307 |
| B | ATP402 |
| B | HOH517 |
| B | HOH612 |
| site_id | FC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 423 |
| Chain | Residue |
| B | PHE262 |
| B | HIS275 |
| B | ARG312 |
| B | GLU316 |
| B | EDO425 |
| site_id | FC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 424 |
| Chain | Residue |
| B | GLN263 |
| B | PRO264 |
| B | SER265 |
| B | EDO425 |
| B | HOH601 |
| site_id | FC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 425 |
| Chain | Residue |
| A | LYS351 |
| B | PHE262 |
| B | ALA272 |
| B | GLY273 |
| B | HIS275 |
| B | GLU276 |
| B | EDO423 |
| B | EDO424 |
| site_id | FC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 426 |
| Chain | Residue |
| A | TYR62 |
| B | TYR279 |
| site_id | FC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 427 |
| Chain | Residue |
| B | TYR279 |
| B | MET283 |
| B | LEU320 |
| B | ALA321 |
| B | PRO322 |
| B | EDO409 |
| site_id | FC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 428 |
| Chain | Residue |
| A | GLU65 |
| A | SER66 |
| B | ARG290 |
Functional Information from PROSITE/UniProt
| site_id | PS00406 |
| Number of Residues | 11 |
| Details | ACTINS_1 Actins signature 1. YVGDEAQs.KRG |
| Chain | Residue | Details |
| B | TYR53-GLY63 |
| site_id | PS00432 |
| Number of Residues | 9 |
| Details | ACTINS_2 Actins signature 2. WITKqEYDE |
| Chain | Residue | Details |
| B | TRP356-GLU364 |
| site_id | PS01132 |
| Number of Residues | 13 |
| Details | ACTINS_ACT_LIKE Actins and actin-related proteins signature. LLTEApLNPkaNR |
| Chain | Residue | Details |
| B | LEU104-ARG116 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: N-acetylaspartate; in Actin, alpha skeletal muscle => ECO:0000269|PubMed:1150665 |
| Chain | Residue | Details |
| B | ASP1 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: Methionine (R)-sulfoxide => ECO:0000250|UniProtKB:P68134 |
| Chain | Residue | Details |
| B | MET44 | |
| B | MET47 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-malonyllysine => ECO:0000250 |
| Chain | Residue | Details |
| B | LYS61 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Tele-methylhistidine => ECO:0000269|PubMed:1150665, ECO:0000269|PubMed:16905096, ECO:0000269|PubMed:213279, ECO:0000269|PubMed:2395459, ECO:0000269|PubMed:499690, ECO:0007744|PDB:1ATN, ECO:0007744|PDB:1NWK |
| Chain | Residue | Details |
| B | HIC73 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine => ECO:0000250|UniProtKB:P68133 |
| Chain | Residue | Details |
| B | LYS84 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: ADP-ribosylarginine; by SpvB => ECO:0000305|PubMed:16905096 |
| Chain | Residue | Details |
| B | ARG177 |
