2024-12-14_00000428|medium|9FW3

Cryo-EM structure of IrtAB 2xEQ mutant in outward-occluded state in nanodisc in complex with mycobactin; Electron microscopy 2.67Å
Protein #1 595 residues (94% resolved)

SRAEAGSRLLAPLKKPLIVSGVLQALITLIELAPFVLLVELARLLLGGAEAERLWTLGLTAVSLIGLGAVLAAAMTLWLHRVDARFAHELRGRLLTKLSRLPLGWFTRRGSASTKQLVQDDTLALHYLITHAIPDAVAAVVAPVAVLVYLFVADWRVALVLFIPVLVYLVLMSVMTIQSGSKIAQAPRWAERMGGEAGAFLEGQPVIRIFGGAAASRFRRRLDDYIDFLVSWQRPFVGKKTLMDLVTRPATFLWIILVAGVPLVVTGRMDPVNLLPFLLLGTTFGARLLGIGYGLSGIQTGMLAARRIQTVLDEPELVVRDRTGQAGTDHASGDQARPGTVELDRVSFEYRPGVPVIRDVTLTLRPGTVTALVGPSGSGKSTLAALVARFHDVTQGAIRVDGRDIRTLTADELYRRVGFVLQDAQLVHGSVAENIALAEPDAGLERIRTAARDAQIHDRITRMPDGYDSVLGAGSALSGGERQRVTIARAILADTPVLVLDQATAFADPESEYLVQQAINRLTRDRTVLVIAHRLHTITHADQIVVLDDGRIVEVGTHDELLAAGGRYRGLWDSGRYSSPDAGRPVSADAVEVGR

SRAEAGSRLLAPLKKPLIVSGVLQALITLIELAPFVLLVELARLLLGGAEAERLWTLGLTAVSLIGLGAVLAAAMTLWLHRVDARFAHELRGRLLTKLSRLPLGWFTRRGSASTKQLVQDDTLALHYLITHAIPDAVAAVVAPVAVLVYLFVADWRVALVLFIPVLVYLVLMSVMTIQSGSKIAQAPRWAERMGGEAGAFLEGQPVIRIFGGAAASRFRRRLDDYIDFLVSWQRPFVGKKTLMDLVTRPATFLWIILVAGVPLVVTGRMDPVNLLPFLLLGTTFGARLLGIGYGLSGIQTGMLAARRIQTVLDEPELVVRDRTGQAGTDHASGDQARPGTVELDRVSFEYRPGVPVIRDVTLTLRPGTVTALVGPSGSGKSTLAALVARFHDVTQGAIRVDGRDIRTLTADELYRRVGFVLQDAQLVHGSVAENIALAEPDAGLERIRTAARDAQIHDRITRMPDGYDSVLGAGSALSGGERQRVTIARAILADTPVLVLDQATAFADPESEYLVQQAINRLTRDRTVLVIAHRLHTITHADQIVVLDDGRIVEVGTHDELLAAGGRYRGLWDSGRYSSPDAGRPVSADAVEVGR
Protein #2 586 residues (96% resolved)

MIRTLLRLVPAEKRGAVAGYAVLTLLSVLLRAVGAVLLIPLLAALFSDTPSDAWLWLGWLTAVTLAGWVTDTNTARLGFDLGFAVLSRTQHDMADRLPNVAMSWFTPDNTATARQAIAATGPELAGLVVNLLTPLIGAALLPAAIGVALLFVSVPLGLAALAGVAVLFGALALSGRLSRAADKVAGETNSAFTERIIEFARTQQALRAARRVEPARSQVGSALAAQHGAGLRLLTMQIPGQVLFSLAGQVALIGFAGMAVWLTVRGQLGVPEAIALIVVLVRYLEPFAAIADLAPALETTRATLNRIQAVLDAPTLPAGRRRLDRTGAAPSIEFDDVRFSYGDEVVLDGVSFTLRPGNTTAIVGPSGSGKTTILSLIAGLQQPASGRVLLDGVDVTTLDPEARRAAVSVVFQHPYLFDGTLRDNVLVGDPEADPDDVTAAMRLARVDELLDRLPDGDATVVGEGGTALSGGERQRVSIARALLKPAPVLLVDQATSALDNANEAAVVDALTADPRPRTRVIVAHRLASIRHADRVLFVEAGRVVEDGAIDELLAAGGRFAQFWAQQQAASEWAIGSTARALEVLFQ

MIRTLLRLVPAEKRGAVAGYAVLTLLSVLLRAVGAVLLIPLLAALFSDTPSDAWLWLGWLTAVTLAGWVTDTNTARLGFDLGFAVLSRTQHDMADRLPNVAMSWFTPDNTATARQAIAATGPELAGLVVNLLTPLIGAALLPAAIGVALLFVSVPLGLAALAGVAVLFGALALSGRLSRAADKVAGETNSAFTERIIEFARTQQALRAARRVEPARSQVGSALAAQHGAGLRLLTMQIPGQVLFSLAGQVALIGFAGMAVWLTVRGQLGVPEAIALIVVLVRYLEPFAAIADLAPALETTRATLNRIQAVLDAPTLPAGRRRLDRTGAAPSIEFDDVRFSYGDEVVLDGVSFTLRPGNTTAIVGPSGSGKTTILSLIAGLQQPASGRVLLDGVDVTTLDPEARRAAVSVVFQHPYLFDGTLRDNVLVGDPEADPDDVTAAMRLARVDELLDRLPDGDATVVGEGGTALSGGERQRVSIARALLKPAPVLLVDQATSALDNANEAAVVDALTADPRPRTRVIVAHRLASIRHADRVLFVEAGRVVEDGAIDELLAAGGRFAQFWAQQQAASEWAIGSTARALEVLFQ
Non polymer #3 A1IRY

InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56;/h19-21,26,29-30,35,37-39,52H,3-18,22-25,27-28,31-34H2,1-2H3,(H,47,53)(H,48,55);/q-2;+6/p-1/b30-19+;/t35-,37+,38+,39-;/m1./s1

CCCCCCCCCCCCCCCCC/C=C/C1=O[Fe+3]2345[N]6=C(c7ccccc7O2)OC[C@@H]6C(=O)N[C@@H](CCCCN1O3)C(=O)O[C@@H](CC(=O)N[C@H]8CCCCN(C8=O4)O5)C
Non polymer #4 ATP

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference