2024-02-17_00000129
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ligand
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8CJB
A268M variant of the CODH/ACS complex of C. hydrogenoformans;
X-ray diffraction 2.50Å
Protein #1
669 residues (100% resolved)
Raw Sequence ...
PRFRDLEHTSKPSKADRVWEPKNRKRTIDPAALEMLEKAEKDGVKTAFDRFVEMQPQCQFGYKGLCCRFCLQGPCRLPNDDPSKKGICGASAWTIAARSVGTLILTGAAAHNEHARHIAHALKELAEGKAPDYKITDPDKLRRIAQRLGLDTQGKDDMTLAKEVAELALEDFARLPGFGENLWIKTTLNKERLEKYDECNIMPSGIFGDISDLLAQAHIGNDDDPVNITFSALRVALTDYAGMHIATDFSDVLFGTPKPIVTEANLGVLDANKVNIAVHGHNPLLSEKVVDAAKELEEEAKAAGAEGINIVGMCCTGNEVLMRRGVHLATSFASSELAIVTGAMDAVVVDVQCIMPGLKQVTECYHTRLITTSNIAKMPGTYHVPFHIENALESAKEIVRLGIEAFKQRVGKPVHIPEVKHKVVAGFSFEALMEIFAHVNQENPIRVLNDAILSGQLKGVVLFAGCNNLKRPQDESHITILKEMLKNDVFVVTTGCSAQAFAKHGFLRPEALELAGEGLKSFIKMLEEKAGLQGQLPPAFFMGSCVDNTRASDILVAMAKDLGVDTPKVPFVASAPEAMSGKAVSIGTWFVTLGVPVHVGTMPPLEGSELFYSITTQIASDVYGGYFMFEVDPVVAARKILNALEYRTWKLGVHKQTAEKFETALCQNY
Canonical Sequence ...
PRFRDLEHTSKPSKADRVWEPKNRKRTIDPAALEMLEKAEKDGVKTAFDRFVEMQPQCQFGYKGLCCRFCLQGPCRLPNDDPSKKGICGASAWTIAARSVGTLILTGAAAHNEHARHIAHALKELAEGKAPDYKITDPDKLRRIAQRLGLDTQGKDDMTLAKEVAELALEDFARLPGFGENLWIKTTLNKERLEKYDECNIMPSGIFGDISDLLAQAHIGNDDDPVNITFSALRVALTDYAGMHIATDFSDVLFGTPKPIVTEANLGVLDANKVNIAVHGHNPLLSEKVVDAAKELEEEAKAAGAEGINIVGMCCTGNEVLMRRGVHLATSFASSELAIVTGAMDAVVVDVQCIMPGLKQVTECYHTRLITTSNIAKMPGTYHVPFHIENALESAKEIVRLGIEAFKQRVGKPVHIPEVKHKVVAGFSFEALMEIFAHVNQENPIRVLNDAILSGQLKGVVLFAGCNNLKRPQDESHITILKEMLKNDVFVVTTGCSAQAFAKHGFLRPEALELAGEGLKSFIKMLEEKAGLQGQLPPAFFMGSCVDNTRASDILVAMAKDLGVDTPKVPFVASAPEAMSGKAVSIGTWFVTLGVPVHVGTMPPLEGSELFYSITTQIASDVYGGYFMFEVDPVVAARKILNALEYRTWKLGVHKQTAEKFETALCQNY
Protein #2
731 residues (100% resolved)
Raw Sequence ...
INFDQIFEGAIEPGKEPKRLFKEVYEGAITATSYAEILLSRAIEKYGPDHPVGYPDTAYFLPVIRAFSGEEVRTLKDMVPILNRMRAQIKSELTFENARLAGEATWYAAEIIEALRYLKHTPENPIVVPPWTGFIGDPVVRQYGIKMVDWTIPGEAIIIGRAKDSKAAKKIVDDLMGKGLMLFLCDEIIEQLLEENVKLGVDYIAYPLGNFTQVVHAANYLLRAGLMFGGIAPGLRDAHRDYQRRRVLAFVLYLGEHDMVKTAMAMGAIFTGFPVITDQPLPEDKQIKDWFISEPDYDKIVQTALEVRGIKITSIDIDLPINFGPAFEGESIRKGDMHVEFGGGKTPSFELVRMVGPDEIEDGKVEVIGPDIDSVEPGGRLPIGIVVDIYGRKMQEDFEPVLERRIHYFTNYGEGFWHTAQRDLTWVRISKEAFAKGARLKHLGQLLYAKFKQEFPSIVDRVQVTIYTDEQKVLELREIARKKYAERDARLRELSDEAVDTYYSCLLCQSFAPTHVCIVSPERVGLCGAISWLDAKAAYEINPNGPNQPIPKEGLIDPVKGQWESFNEYIYKNSQRTIERMNLYTIMEYPMTSCGCFEAIMAYLPELNGFMIVNREHSGMTPIGMTFSTLAGMVGGGTQTPGFMGIGKSYIGSRKFVKADGGLARVVWMPKDLKEQLRSIIEERAEEEGLGRDFIDKIADETVGTTVDEVLPFLEEKGHPALSMEPLLRSH
Canonical Sequence ...
INFDQIFEGAIEPGKEPKRLFKEVYEGAITATSYAEILLSRAIEKYGPDHPVGYPDTAYFLPVIRAFSGEEVRTLKDMVPILNRMRAQIKSELTFENARLAGEATWYAAEIIEALRYLKHTPENPIVVPPWTGFIGDPVVRQYGIKMVDWTIPGEAIIIGRAKDSKAAKKIVDDLMGKGLMLFLCDEIIEQLLEENVKLGVDYIAYPLGNFTQVVHAANYLLRAGLMFGGIAPGLRDAHRDYQRRRVLAFVLYLGEHDMVKTAMAMGAIFTGFPVITDQPLPEDKQIKDWFISEPDYDKIVQTALEVRGIKITSIDIDLPINFGPAFEGESIRKGDMHVEFGGGKTPSFELVRMVGPDEIEDGKVEVIGPDIDSVEPGGRLPIGIVVDIYGRKMQEDFEPVLERRIHYFTNYGEGFWHTAQRDLTWVRISKEAFAKGARLKHLGQLLYAKFKQEFPSIVDRVQVTIYTDEQKVLELREIARKKYAERDARLRELSDEAVDTYYSCLLCQSFAPTHVCIVSPERVGLCGAISWLDAKAAYEINPNGPNQPIPKEGLIDPVKGQWESFNEYIYKNSQRTIERMNLYTIMEYPMTSCGCFEAIMAYLPELNGFMIVNREHSGMTPIGMTFSTLAGMVGGGTQTPGFMGIGKSYIGSRKFVKADGGLARVVWMPKDLKEQLRSIIEERAEEEGLGRDFIDKIADETVGTTVDEVLPFLEEKGHPALSMEPLLRSH
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
FES
InChI=1S/2Fe.2S
InChI=1S/2Fe.2S
SMILES: S1[Fe]S[Fe]1
S1[Fe]S[Fe]1
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
NI
InChI=1S/Ni/q+2
InChI=1S/Ni/q+2
SMILES: [Ni+2]
[Ni+2]
Non polymer #7
OH
InChI=1S/H2O/h1H2/p-1
InChI=1S/H2O/h1H2/p-1
SMILES: [OH-]
[OH-]
Non polymer #8
RQM
InChI=1S/4Fe.Ni.4S
InChI=1S/4Fe.Ni.4S
SMILES: [S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe]
[S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe]
Non polymer #9
SF4
InChI=1S/4Fe.4S
InChI=1S/4Fe.4S
SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
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