Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

PRD_000943

Summary
Name:Protein phyllopod
Formula:C74 H138 N24 O16 S
Fomular weight:1652.104
Component type:peptide-like
Polymer sequences:ACE, LYS, LEU, ARG, PRO, VAL, ALA, MET, VAL, ARG, PRO, PRK, VAL, ARG
Non-polymer components:
BIRD class:Inhibitor
Represented as:polymer

ProgramVersionName
ACDLabs12.01N-acetyl-6-ammonio-L-norleucyl-L-leucyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-prolyl-L-valyl-L-alanyl-L-methionyl-L-valyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N~6~-propanoyl-L-lysyl-L-valyl-N~5~-[amino(iminio)methyl]-L-ornithine
OpenEye OEToolkits1.9.2[[[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-6-azaniumyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-6-(propanoylamino)hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(C(=O)NC(C(=O)O)CCCNC(=[NH2+])/N)C(C)C)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCC[NH3+])CC(C)C)CCCNC(=[NH2+])/N)CCC1)C(C)C)C)CCSC)C(C)C)CCCNC(=[NH2+])\N)CCC2)CCCCNC(=O)CC
SMILES_CANONICALCACTVS3.385CCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)=O
SMILESCACTVS3.385CCC(=O)NCCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(=O)[CH](CCSC)NC(=O)[CH](C)NC(=O)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](CC(C)C)NC(=O)[CH](CCCC[NH3+])NC(C)=O)C(C)C)C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH](CCCNC(N)=[NH2+])C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C
SMILESOpenEye OEToolkits1.9.2CCC(=O)NCCCCC(C(=O)NC(C(C)C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCNC(=[NH2+])N)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CC(C)C)NC(=O)C(CCCC[NH3+])NC(=O)C

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon