3G1F

crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with 5,6-dihydroorotidine 5'-monophosphate

• Total interactions analyzed: 78
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 168
  • Norm. En. per Res.: -3.8826
• Hub Node: C(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-105.8109	-77.4227	-479.667	-662.9006	171	24	14	19583	4	47	41
A-J	-8.332	-36.7664	-167.385	-212.4834	81	10	0	7396	5	64	51
B-D	-26.2259	-77.5951	-98.2944	-202.1154	69	17	0	5214	3	58	51
C-D	-91.6704	-82.1359	-478.473	-652.2793	168	24	14	19593	4	46	40
C-F	-3.5442	-10.8952	-123.348	-137.7874	85	17	0	7029	3	67	54
C-M	0.0	-16.5071	-3.8201	-20.3271	16	0	0	261	1	6	7
E-F	-91.1369	-84.6171	-458.874	-634.628	167	37	14	19564	4	49	40
E-G	-15.255	-56.8568	-138.034	-210.1458	85	23	0	6998	3	65	53
F-M	0.0	-0.5555	-5.8407	-6.3962	16	0	0	545	0	10	10
G-H	-84.4405	-78.6155	-464.659	-627.715	169	33	14	19370	6	46	38
H-L	-15.6708	-19.3588	-136.268	-171.2976	75	9	0	6091	3	58	46
I-J	-98.6811	-62.3337	-450.902	-611.9168	163	34	14	18778	6	42	37
K-L	-70.4321	-78.6013	-448.646	-597.6794	164	23	14	18977	4	45	37

Interface residues

• A-B: ALA103A, ALA103B, ALA131A, ALA131B, ALA138A, ALA138B, ALA139A, ALA139B, ALA143A, ALA143B, ALA184A, ALA184B, ALA18A, ALA69A, ALA69B, ALA74A, ALA74B, ALA86A, ALA86B, ALA90A, ALA90B, ARG144A, ARG144B, ARG160A, ARG203A, ARG203B, ARG85A, ARG85B, ASN23A, ASN80A, ASN80B, ASP104A, ASP104B, ASP140A, ASP140B, ASP148A, ASP148B, ASP20A, ASP20B, ASP54A, ASP54B, ASP70A, ASP70B, ASP75A, ASP75B, CYS84A, CYS84B, GLN136A, GLN136B, GLN185A, GLN185B, GLU125B, GLU132A, GLU132B, GLU141A, GLU141B, GLU51A, GLU51B, GLU78A, GLU78B, GLU81A, GLU81B, GLY102A, GLY102B, GLY130A, GLY130B, GLY137A, GLY137B, GLY146A, GLY146B, GLY181A, GLY181B, GLY202A, GLY44A, GLY44B, GLY52A, GLY52B, GLY99A, GLY99B, HIS128A, HIS128B, HIS98A, HIS98B, ILE135A, ILE135B, ILE142A, ILE142B, ILE56A, ILE56B, ILE76A, ILE76B, ILE83A, ILE83B, ILE95A, ILE95B, ILE96A, LEU122A, LEU122B, LEU123A, LEU123B, LEU149A, LEU149B, LEU207A, LEU207B, LEU21A, LEU21B, LEU47A, LEU47B, LEU49A, LEU49B, LYS42A, LYS42B, LYS72A, LYS72B, LYS82A, LYS82B, LYS89A, LYS89B, MET126A, MET126B, MET133A, MET133B, MET145A, MET145B, MET19A, MET22A, MET22B, MET53A, MET53B, PHE100A, PHE100B, PHE134A, PHE134B, PHE71A, PHE71B, PHE88B, PRO101A, PRO101B, PRO129A, PRO129B, PRO180A, PRO180B, PRO46A, PRO46B, PRO77A, PRO77B, SER105A, SER105B, SER127A, SER127B, SER50A, SER50B, THR124A, THR124B, THR159A, THR159B, THR79A, THR79B, THR87A, THR87B, TYR206A, TYR206B, TYR45A, TYR45B, VAL106A, VAL106B, VAL48A, VAL48B, VAL73A, VAL73B, VAL97A
• A-J: ALA113A, ALA113J, ALA57A, ALA57J, ALA86A, ALA86J, ALA90A, ALA90J, ALA92A, ALA92J, ALA94A, ALA94J, ARG118A, ARG118J, ARG35A, ARG35J, ARG60A, ARG60J, ARG62A, ARG62J, ARG66A, ARG66J, ARG85A, ARG85J, ASN111A, ASN111J, ASN153J, ASP10A, ASP10J, ASP39A, ASP39J, ASP7A, ASP93A, ASP93J, CYS65A, CYS65J, GLU114A, GLU114J, GLU115A, GLU115J, GLU119A, GLU119J, GLU36A, GLU58A, GLU58J, GLY117A, GLY117J, GLY64A, GLY64J, GLY91A, GLY91J, ILE56A, ILE56J, ILE67A, ILE67J, LYS152J, LYS61A, LYS61J, LYS89A, LYS89J, MET116A, MET116J, MET12A, MET12J, MET9A, MET9J, PHE121J, PHE176J, PHE59A, PHE59J, PHE63A, PHE63J, PHE88A, PHE88J, THR87A, VAL112A, VAL112J, VAL11J, VAL6A, VAL8A, VAL8J
• B-D: ALA113B, ALA113D, ALA57B, ALA57D, ALA86B, ALA86D, ALA90B, ALA90D, ALA92B, ALA92D, ALA94D, ARG118B, ARG118D, ARG35B, ARG35D, ARG60B, ARG60D, ARG62D, ARG66B, ARG66D, ARG85B, ARG85D, ASN111B, ASN111D, ASN153B, ASP10B, ASP39B, ASP39D, ASP93B, ASP93D, CYS65B, CYS65D, GLU114B, GLU114D, GLU115B, GLU115D, GLU119B, GLU119D, GLY117B, GLY117D, GLY64B, GLY64D, GLY91B, GLY91D, ILE56D, ILE67B, ILE67D, LYS152B, LYS61B, LYS61D, LYS89B, LYS89D, MET116B, MET116D, MET12B, MET12D, PHE176B, PHE63B, PHE63D, PHE88B, PHE88D, THR40B, THR40D, THR87B, THR87D, VAL112B, VAL112D, VAL11B, VAL11D
• C-D: ALA103C, ALA103D, ALA131C, ALA131D, ALA138C, ALA138D, ALA139C, ALA139D, ALA143C, ALA143D, ALA184C, ALA184D, ALA18C, ALA69C, ALA69D, ALA74C, ALA74D, ALA86C, ALA86D, ALA90C, ALA90D, ARG144C, ARG144D, ARG160C, ARG203C, ARG203D, ARG85C, ARG85D, ASN23C, ASN80C, ASN80D, ASP104C, ASP104D, ASP140C, ASP140D, ASP148C, ASP148D, ASP20C, ASP20D, ASP54C, ASP54D, ASP70C, ASP70D, ASP75C, ASP75D, CYS84C, CYS84D, GLN136C, GLN136D, GLN185C, GLN185D, GLU125D, GLU132C, GLU132D, GLU141C, GLU141D, GLU51C, GLU51D, GLU78C, GLU78D, GLU81C, GLU81D, GLY102C, GLY102D, GLY130C, GLY130D, GLY137C, GLY137D, GLY146C, GLY146D, GLY181C, GLY181D, GLY44C, GLY44D, GLY52C, GLY52D, GLY99C, GLY99D, HIS128C, HIS128D, HIS98C, HIS98D, ILE135C, ILE135D, ILE142C, ILE142D, ILE56C, ILE56D, ILE76C, ILE76D, ILE83C, ILE83D, ILE95C, ILE95D, ILE96C, LEU122C, LEU122D, LEU123C, LEU123D, LEU149C, LEU149D, LEU207C, LEU207D, LEU21C, LEU21D, LEU47C, LEU47D, LEU49C, LEU49D, LYS42C, LYS42D, LYS72C, LYS72D, LYS82C, LYS82D, LYS89C, LYS89D, MET126C, MET126D, MET133C, MET133D, MET145C, MET145D, MET19C, MET22C, MET22D, MET53C, MET53D, PHE100C, PHE100D, PHE134C, PHE134D, PHE71C, PHE71D, PHE88D, PRO101C, PRO101D, PRO129C, PRO129D, PRO180C, PRO180D, PRO46C, PRO46D, PRO77C, PRO77D, SER105C, SER105D, SER127C, SER127D, SER50C, SER50D, THR124D, THR159C, THR159D, THR79C, THR79D, THR87C, THR87D, TYR206C, TYR206D, TYR45C, TYR45D, VAL106C, VAL106D, VAL48C, VAL48D, VAL73C, VAL73D
• C-F: ALA113C, ALA113F, ALA57C, ALA57F, ALA86C, ALA86F, ALA90C, ALA90F, ALA92C, ALA92F, ALA94C, ALA94F, ARG118C, ARG118F, ARG35C, ARG35F, ARG60C, ARG60F, ARG62C, ARG62F, ARG66C, ARG66F, ARG85C, ARG85F, ASN111C, ASN111F, ASN153C, ASN153F, ASP10C, ASP10F, ASP174F, ASP197F, ASP39C, ASP39F, ASP93C, ASP93F, CYS65C, CYS65F, GLU114C, GLU114F, GLU115C, GLU115F, GLU119C, GLU119F, GLU36F, GLU58C, GLU58F, GLY117C, GLY117F, GLY64C, GLY64F, GLY91C, GLY91F, ILE56F, ILE67C, ILE67F, LYS152C, LYS152F, LYS61C, LYS61F, LYS89C, LYS89F, MET116C, MET116F, MET12C, MET12F, MET9C, MET9F, PHE121C, PHE176C, PHE176F, PHE59C, PHE59F, PHE63C, PHE63F, PHE88C, PHE88F, THR40C, THR87C, THR87F, VAL112C, VAL112F, VAL11C, VAL11F, VAL8C
• C-M: ALA184M, ALA196C, ALA208M, ARG14C, ARG168C, ARG194C, ARG203M, ASN210M, ASP197C, ASP209M, ASP224C, GLN173C, LEU193C, LEU207M, LEU225C, LYS223C
• E-F: ALA103E, ALA103F, ALA108F, ALA131E, ALA131F, ALA138E, ALA138F, ALA139E, ALA139F, ALA143E, ALA143F, ALA184E, ALA184F, ALA18F, ALA69E, ALA69F, ALA74E, ALA74F, ALA86E, ALA86F, ALA90E, ALA90F, ARG144E, ARG144F, ARG203E, ARG203F, ARG85E, ARG85F, ASN80E, ASN80F, ASP104E, ASP104F, ASP140E, ASP140F, ASP148E, ASP148F, ASP20E, ASP20F, ASP54E, ASP54F, ASP70E, ASP70F, ASP75E, ASP75F, CYS84E, CYS84F, GLN136E, GLN136F, GLN185E, GLN185F, GLU125F, GLU132E, GLU132F, GLU141E, GLU141F, GLU51E, GLU51F, GLU78E, GLU78F, GLU81E, GLU81F, GLY102E, GLY102F, GLY130E, GLY130F, GLY137E, GLY137F, GLY146E, GLY146F, GLY181E, GLY181F, GLY202F, GLY44E, GLY44F, GLY52E, GLY52F, GLY99E, GLY99F, HIS128E, HIS128F, HIS98E, HIS98F, ILE135E, ILE135F, ILE142E, ILE142F, ILE56E, ILE56F, ILE76E, ILE76F, ILE83E, ILE83F, ILE95E, ILE95F, LEU122E, LEU122F, LEU123E, LEU123F, LEU149E, LEU149F, LEU207E, LEU207F, LEU21E, LEU21F, LEU47E, LEU47F, LEU49E, LEU49F, LYS42E, LYS42F, LYS72E, LYS72F, LYS82E, LYS82F, LYS89E, LYS89F, MET126E, MET126F, MET133E, MET133F, MET145E, MET145F, MET19E, MET22E, MET22F, MET53E, MET53F, PHE100E, PHE100F, PHE134E, PHE134F, PHE71E, PHE71F, PHE88F, PRO101E, PRO101F, PRO129E, PRO129F, PRO180E, PRO180F, PRO46E, PRO46F, PRO77E, PRO77F, SER105E, SER105F, SER127E, SER127F, SER50E, SER50F, THR124F, THR159F, THR79E, THR79F, THR87E, THR87F, TYR206E, TYR206F, TYR45E, TYR45F, VAL106E, VAL106F, VAL48E, VAL48F, VAL73E, VAL73F, VAL97E
• E-G: ALA113E, ALA113G, ALA57E, ALA57G, ALA86E, ALA86G, ALA90E, ALA90G, ALA92E, ALA92G, ALA94E, ALA94G, ARG118E, ARG118G, ARG35E, ARG35G, ARG60E, ARG60G, ARG62E, ARG62G, ARG66E, ARG66G, ARG85E, ARG85G, ASN111E, ASN111G, ASN153E, ASN153G, ASP10E, ASP10G, ASP174E, ASP174G, ASP39E, ASP39G, ASP93E, ASP93G, CYS65E, CYS65G, GLU114E, GLU114G, GLU115E, GLU115G, GLU119E, GLU119G, GLU36G, GLU58E, GLU58G, GLY117E, GLY117G, GLY64E, GLY64G, GLY91E, GLY91G, ILE56E, ILE56G, ILE67E, ILE67G, LYS152E, LYS152G, LYS61E, LYS61G, LYS89E, LYS89G, MET116E, MET116G, MET12E, MET12G, MET9E, MET9G, PHE176E, PHE176G, PHE59E, PHE59G, PHE63E, PHE63G, PHE88E, PHE88G, THR40E, THR40G, THR87E, THR87G, VAL112E, VAL112G, VAL11E, VAL11G
• F-M: ALA212F, ARG29F, ASN210F, ASP209F, ASP224M, ASP25F, ASP26F, GLU220M, GLU33F, GLY217M, ILE219M, ILE222M, LEU225M, LYS223M, PRO211F, SER221M
• G-H: ALA103G, ALA103H, ALA108G, ALA108H, ALA131G, ALA131H, ALA138G, ALA138H, ALA139G, ALA139H, ALA143G, ALA143H, ALA184G, ALA184H, ALA18G, ALA18H, ALA69G, ALA69H, ALA74G, ALA74H, ALA86G, ALA86H, ALA90G, ALA90H, ARG144G, ARG144H, ARG203G, ARG203H, ARG85G, ARG85H, ASN23H, ASN80G, ASN80H, ASP104G, ASP104H, ASP140G, ASP140H, ASP148G, ASP148H, ASP20G, ASP20H, ASP54G, ASP54H, ASP70G, ASP70H, ASP75G, ASP75H, CYS84G, CYS84H, GLN136G, GLN136H, GLN185G, GLN185H, GLU125G, GLU132G, GLU132H, GLU141G, GLU141H, GLU51G, GLU51H, GLU78G, GLU78H, GLU81G, GLU81H, GLY102G, GLY102H, GLY130G, GLY130H, GLY137G, GLY137H, GLY146G, GLY146H, GLY181G, GLY181H, GLY202G, GLY44G, GLY44H, GLY52G, GLY52H, GLY99G, GLY99H, HIS128G, HIS128H, HIS98G, HIS98H, ILE135G, ILE135H, ILE142G, ILE142H, ILE56G, ILE56H, ILE76G, ILE76H, ILE83G, ILE83H, ILE95G, ILE95H, ILE96G, LEU122G, LEU122H, LEU123G, LEU123H, LEU149G, LEU149H, LEU207G, LEU207H, LEU21G, LEU21H, LEU47G, LEU47H, LEU49G, LEU49H, LYS42G, LYS42H, LYS72G, LYS72H, LYS82G, LYS82H, LYS89G, LYS89H, MET126G, MET126H, MET133G, MET133H, MET145G, MET145H, MET19G, MET22G, MET22H, MET53G, MET53H, PHE100G, PHE100H, PHE134G, PHE134H, PHE71G, PHE71H, PRO101G, PRO101H, PRO129G, PRO129H, PRO180G, PRO180H, PRO46G, PRO46H, PRO77G, PRO77H, SER105G, SER105H, SER127G, SER127H, SER50G, SER50H, THR124G, THR159H, THR79G, THR79H, THR87G, THR87H, TYR206G, TYR206H, TYR45G, TYR45H, VAL106G, VAL106H, VAL48G, VAL48H, VAL73G, VAL73H
• H-L: ALA113H, ALA113L, ALA57H, ALA57L, ALA86H, ALA86L, ALA90H, ALA90L, ALA92H, ALA92L, ALA94H, ALA94L, ARG118H, ARG118L, ARG35H, ARG35L, ARG60H, ARG60L, ARG62H, ARG62L, ARG66H, ARG66L, ARG85H, ARG85L, ASN111H, ASN153H, ASN153L, ASP10H, ASP10L, ASP174H, ASP197H, ASP39H, ASP39L, ASP93H, ASP93L, CYS65H, CYS65L, GLU114H, GLU114L, GLU115H, GLU115L, GLU119H, GLU119L, GLU58L, GLY117H, GLY117L, GLY64H, GLY64L, GLY91H, GLY91L, ILE56L, ILE67H, ILE67L, LYS152H, LYS61H, LYS61L, LYS89H, LYS89L, MET116H, MET116L, MET12L, PHE121H, PHE121L, PHE176H, PHE176L, PHE59L, PHE63H, PHE63L, PHE88H, PHE88L, THR87L, VAL112H, VAL112L, VAL11H, VAL11L
• I-J: ALA103I, ALA103J, ALA131I, ALA131J, ALA138I, ALA138J, ALA139I, ALA139J, ALA143I, ALA143J, ALA184I, ALA184J, ALA69I, ALA69J, ALA74I, ALA74J, ALA86I, ALA86J, ALA90I, ALA90J, ARG144I, ARG144J, ARG160J, ARG203I, ARG203J, ARG85I, ARG85J, ASN23J, ASN80I, ASN80J, ASP104I, ASP104J, ASP140I, ASP140J, ASP148I, ASP20I, ASP20J, ASP54I, ASP54J, ASP70I, ASP70J, ASP75I, ASP75J, CYS84I, CYS84J, GLN136I, GLN136J, GLN185I, GLN185J, GLU125I, GLU125J, GLU132I, GLU132J, GLU141I, GLU141J, GLU51I, GLU51J, GLU78I, GLU78J, GLU81I, GLU81J, GLY102I, GLY102J, GLY130I, GLY130J, GLY137I, GLY137J, GLY146I, GLY146J, GLY181J, GLY44I, GLY44J, GLY52I, GLY52J, GLY99I, GLY99J, HIS128I, HIS128J, HIS98I, HIS98J, ILE135I, ILE135J, ILE142I, ILE142J, ILE56I, ILE56J, ILE76I, ILE76J, ILE83I, ILE83J, ILE95I, ILE95J, ILE96J, LEU122I, LEU123I, LEU123J, LEU149I, LEU149J, LEU207I, LEU207J, LEU21I, LEU21J, LEU47I, LEU47J, LEU49I, LEU49J, LYS42I, LYS42J, LYS72I, LYS72J, LYS82I, LYS82J, LYS89I, LYS89J, MET126I, MET126J, MET133I, MET133J, MET145I, MET145J, MET19J, MET22I, MET22J, MET53I, MET53J, PHE100I, PHE100J, PHE134I, PHE134J, PHE71I, PHE71J, PRO101I, PRO101J, PRO129I, PRO129J, PRO180J, PRO46I, PRO46J, PRO77I, PRO77J, SER105I, SER105J, SER127I, SER127J, SER50I, SER50J, THR124I, THR159J, THR79I, THR79J, THR87I, THR87J, TYR206I, TYR206J, TYR45I, TYR45J, VAL106I, VAL106J, VAL48I, VAL48J, VAL73I, VAL73J, VAL97J
• K-L: ALA103K, ALA103L, ALA131K, ALA131L, ALA138K, ALA138L, ALA139K, ALA139L, ALA143K, ALA143L, ALA184K, ALA184L, ALA69K, ALA69L, ALA74K, ALA74L, ALA86K, ALA86L, ALA90K, ALA90L, ARG144K, ARG144L, ARG160K, ARG203K, ARG203L, ARG85K, ARG85L, ASN23K, ASN23L, ASN80K, ASN80L, ASP104K, ASP104L, ASP140K, ASP140L, ASP148K, ASP148L, ASP20K, ASP20L, ASP54K, ASP54L, ASP70K, ASP70L, ASP75K, ASP75L, CYS84K, CYS84L, GLN136K, GLN136L, GLN185K, GLN185L, GLU125L, GLU132K, GLU132L, GLU141K, GLU141L, GLU51K, GLU51L, GLU78K, GLU78L, GLU81K, GLU81L, GLY102K, GLY102L, GLY130K, GLY130L, GLY137K, GLY137L, GLY146K, GLY181K, GLY181L, GLY44K, GLY44L, GLY52K, GLY52L, GLY99K, GLY99L, HIS128K, HIS128L, HIS98K, HIS98L, ILE135K, ILE135L, ILE142K, ILE142L, ILE56K, ILE56L, ILE76K, ILE76L, ILE83K, ILE83L, ILE95K, ILE95L, LEU123K, LEU123L, LEU149K, LEU149L, LEU207K, LEU207L, LEU21K, LEU21L, LEU47K, LEU47L, LEU49K, LEU49L, LYS42K, LYS42L, LYS72K, LYS72L, LYS82K, LYS82L, LYS89K, LYS89L, MET126K, MET126L, MET133K, MET133L, MET145K, MET145L, MET19K, MET19L, MET22K, MET22L, MET53K, MET53L, PHE100K, PHE100L, PHE134K, PHE134L, PHE71K, PHE71L, PHE88L, PRO101K, PRO101L, PRO129K, PRO129L, PRO180K, PRO180L, PRO46K, PRO46L, PRO77K, PRO77L, SER105K, SER105L, SER127K, SER127L, SER50K, SER50L, THR124L, THR159K, THR79K, THR79L, THR87K, THR87L, TYR206K, TYR206L, TYR45K, TYR45L, VAL106K, VAL106L, VAL48K, VAL48L, VAL73K, VAL73L