SitesBLAST
Comparing 349858 BT0330 ketoisovalerate oxidoreductase subunit vorA (NCBI ptt file) to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 12 hits to proteins with known functional sites (download)
6n2oD 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus with 2-oxoglutarate, coenzyme a and succinyl-coa bound (see paper)
36% identity, 56% coverage: 8:138/235 of query aligns to 24:155/291 of 6n2oD
- binding magnesium ion: D101 (= D84), N129 (= N112), I131 (= I114)
- binding succinyl-coenzyme a: I57 (≠ V40), R62 (≠ F45), L134 (≠ M117), K136 (≠ G119)
- binding iron/sulfur cluster: W24 (≠ Y8), C25 (= C9), C28 (= C12), C59 (= C42)
- binding thiamine diphosphate: I57 (≠ V40), G58 (= G41), C59 (= C42), S60 (≠ A43), H76 (= H59), G102 (= G85), D103 (= D86), N129 (= N112), I131 (= I114), G133 (= G116), L134 (≠ M117), T135 (= T118)
Sites not aligning to the query:
6n2oB 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus with 2-oxoglutarate, coenzyme a and succinyl-coa bound (see paper)
36% identity, 56% coverage: 8:138/235 of query aligns to 24:155/291 of 6n2oB
- binding 2-oxoglutaric acid: R62 (≠ F45), L134 (≠ M117)
- binding coenzyme a: K136 (≠ G119), Y150 (≠ S133)
- binding magnesium ion: D101 (= D84), N129 (= N112), I131 (= I114)
- binding iron/sulfur cluster: W24 (≠ Y8), C25 (= C9), C28 (= C12), C59 (= C42)
- binding thiamine diphosphate: I57 (≠ V40), G58 (= G41), C59 (= C42), S60 (≠ A43), H76 (= H59), G102 (= G85), D103 (= D86), N129 (= N112), I131 (= I114), Y132 (= Y115), G133 (= G116), L134 (≠ M117), T135 (= T118)
Sites not aligning to the query:
6n2nB Crystal structure of 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus (see paper)
36% identity, 56% coverage: 8:138/235 of query aligns to 24:155/291 of 6n2nB
- binding magnesium ion: D101 (= D84), N129 (= N112), I131 (= I114)
- binding iron/sulfur cluster: W24 (≠ Y8), C25 (= C9), C28 (= C12), H30 (= H14), C59 (= C42)
- binding thiamine diphosphate: I57 (≠ V40), G58 (= G41), C59 (= C42), S60 (≠ A43), H76 (= H59), G100 (= G83), D101 (= D84), G102 (= G85), D103 (= D86), N129 (= N112), I131 (= I114), Y132 (= Y115), G133 (= G116), L134 (≠ M117), T135 (= T118)
Sites not aligning to the query:
5b46B 2-oxoacid:ferredoxin oxidoreductase 2 from sulfolobus tokodai - ligand free form (see paper)
32% identity, 84% coverage: 8:205/235 of query aligns to 8:196/301 of 5b46B
- binding magnesium ion: D87 (= D84), N115 (= N112), V117 (≠ I114)
- binding iron/sulfur cluster: W8 (≠ Y8), C9 (= C9), C12 (= C12), C43 (= C42), C194 (= C203), T196 (≠ S205)
- binding thiamine diphosphate: I41 (≠ V40), G42 (= G41), C43 (= C42), S44 (≠ A43), H62 (= H59), G86 (= G83), G88 (= G85), D89 (= D86), N115 (= N112), V117 (≠ I114), Y118 (= Y115), G119 (= G116), L120 (≠ M117), T121 (= T118)
Sites not aligning to the query:
Q96XT4 2-oxoacid:ferredoxin oxidoreductase 2, subunit beta; OFOR2; EC 1.2.7.11 from Sulfurisphaera tokodaii (strain DSM 16993 / JCM 10545 / NBRC 100140 / 7) (Sulfolobus tokodaii) (see paper)
32% identity, 84% coverage: 8:205/235 of query aligns to 11:199/304 of Q96XT4
5b47B 2-oxoacid:ferredoxin oxidoreductase 2 from sulfolobus tokodai - pyruvate complex (see paper)
29% identity, 84% coverage: 8:205/235 of query aligns to 4:181/275 of 5b47B
- binding magnesium ion: D83 (= D84), N111 (= N112)
- binding iron/sulfur cluster: C5 (= C9), C8 (= C12), C39 (= C42), C179 (= C203)
- binding thiamine diphosphate: I37 (≠ V40), G38 (= G41), C39 (= C42), S40 (≠ A43), H58 (= H59), G84 (= G85), D85 (= D86), N111 (= N112), V113 (≠ I114), Y114 (= Y115), L116 (≠ M117)
Q96Y68 2-oxoacid:ferredoxin oxidoreductase 1, subunit beta; OFOR1; EC 1.2.7.11 from Sulfurisphaera tokodaii (strain DSM 16993 / JCM 10545 / NBRC 100140 / 7) (Sulfolobus tokodaii) (see 2 papers)
27% identity, 95% coverage: 8:230/235 of query aligns to 11:221/305 of Q96Y68
- C12 (= C9) binding
- C15 (= C12) binding
- C46 (= C42) binding
- K49 (vs. gap) mutation to I: Loss of oxidoreductase activity toward 2-oxoglutarate but retains its activity toward pyruvate.
- D90 (= D84) binding
- GD 91:92 (= GD 85:86) binding
- N118 (= N112) binding
- V120 (≠ I114) binding
- GL 122:123 (≠ GM 116:117) binding
- K125 (≠ G119) Plays an important role in the binding of CoA; mutation to A: Shows a strong decrease of affinity for CoA and a poor inactivation by 4-fluoro-7-nitrobenzofurazan (NBD-F).
- K173 (= K179) mutation to A: Same oxidoreductase activity as the wild-type.
- C197 (= C203) binding
P72579 2-oxoacid:ferredoxin oxidoreductase subunit beta; OFOR; EC 1.2.7.11 from Sulfolobus sp. (see paper)
27% identity, 95% coverage: 8:230/235 of query aligns to 11:221/305 of P72579
- K49 (vs. gap) mutation to I: Strong decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.; mutation to R: Increase the oxidoreductase activity with pyruvate.; mutation to V: Slight decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.
- L123 (≠ M117) mutation L->A,I: Strong decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.; mutation to N: Strong decrease of the oxidoreductase activity with pyruvate and 2-oxobutyrate. However, this mutant shows almost the same activity with 2-oxoglutarate as the wild-type.
5b48B 2-oxoacid:ferredoxin oxidoreductase 1 from sulfolobus tokodai (see paper)
28% identity, 84% coverage: 8:205/235 of query aligns to 7:185/286 of 5b48B
- binding magnesium ion: D84 (= D84), N112 (= N112), V114 (≠ I114)
- binding iron/sulfur cluster: C8 (= C9), C11 (= C12), C42 (= C42), C183 (= C203), T185 (≠ S205)
- binding 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: I40 (≠ V40), G41 (= G41), C42 (= C42), S43 (≠ A43), H59 (= H59), G85 (= G85), D86 (= D86), N112 (= N112), V114 (≠ I114), Y115 (= Y115), G116 (= G116), L117 (≠ M117)
5exdF Crystal structure of oxalate oxidoreductase from moorella thermoacetica bound with carboxy-di-oxido-methyl-tpp (coom-tpp) intermediate (see paper)
23% identity, 88% coverage: 9:214/235 of query aligns to 24:236/310 of 5exdF
- active site: N143 (≠ M117)
- binding magnesium ion: D110 (= D84), N138 (= N112), S140 (≠ I114)
- binding [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate: T50 (≠ V40), G51 (= G41), C52 (= C42), I74 (≠ H59), D110 (= D84), G111 (= G85), Y136 (≠ I110), N138 (= N112), S140 (≠ I114), Y141 (= Y115), A142 (≠ G116), N143 (≠ M117), T144 (= T118)
- binding iron/sulfur cluster: C24 (= C9), C27 (= C12), P29 (≠ H14), C52 (= C42), A142 (≠ G116), C225 (= C203), K227 (≠ S205)
5c4iC Structure of an oxalate oxidoreductase (see paper)
23% identity, 88% coverage: 9:214/235 of query aligns to 24:236/312 of 5c4iC
- active site: N143 (≠ M117)
- binding magnesium ion: D110 (= D84), N138 (= N112), S140 (≠ I114)
- binding iron/sulfur cluster: C24 (= C9), C27 (= C12), P29 (≠ H14), C52 (= C42), A142 (≠ G116), C225 (= C203), P226 (≠ S204), K227 (≠ S205)
- binding thiamine diphosphate: T50 (≠ V40), G51 (= G41), C52 (= C42), I74 (≠ H59), G109 (= G83), D110 (= D84), G111 (= G85), Y136 (≠ I110), N138 (= N112), S140 (≠ I114), Y141 (= Y115), A142 (≠ G116), N143 (≠ M117), T144 (= T118)
5exeC Crystal structure of oxalate oxidoreductase from moorella thermoacetica bound with carboxy-tpp adduct (see paper)
23% identity, 88% coverage: 9:214/235 of query aligns to 24:236/314 of 5exeC
- active site: N143 (≠ M117)
- binding [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate: T50 (≠ V40), G51 (= G41), C52 (= C42), I74 (≠ H59), G109 (= G83), D110 (= D84), G111 (= G85), Y136 (≠ I110), N138 (= N112), S140 (≠ I114), Y141 (= Y115), A142 (≠ G116), N143 (≠ M117), T144 (= T118)
- binding magnesium ion: D110 (= D84), D130 (≠ N104), N138 (= N112), S140 (≠ I114), L211 (≠ M189), Q213 (≠ G191)
- binding iron/sulfur cluster: C24 (= C9), C27 (= C12), P29 (≠ H14), C52 (= C42), C225 (= C203), P226 (≠ S204), K227 (≠ S205)
Query Sequence
>349858 BT0330 ketoisovalerate oxidoreductase subunit vorA (NCBI ptt file)
MNDNAMHYCPGCSHGVVHKLVAEVIEEMGMEEKTVGVSPVGCAVFAYNYLDIDWQEAAHG
RAPAVATAIKRLWPDRLVFTYQGDGDLACIGTAETIHALNRGENITIIFINNAIYGMTGG
QMAPTTLVGMKSSTCPYGRDVELHGYPLKITEIAAQLEGTAYVTRQSVQSVPAIRKAKKA
IRKAFENSMNGKGSNLVEIVSTCSSGWKMTPEKSNKWMEEHMFPFYPLGDLKDKE
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SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory