3IQE

structure of f420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin and coenzyme f420

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 269
  • Norm. En. per Res.: -5.3609
• Hub Node: A(4)

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	0.0	19.3073	-95.4082	-76.1009	37	2	1	3487	2	15	21
A-C	-2.5123	16.7776	-97.3587	-83.0934	37	4	1	3540	2	15	22
A-D	-189.9654	-357.6941	-890.816	-1438.4755	270	43	21	36288	29	170	182
A-E	-64.1214	-113.4008	-323.006	-500.5282	121	22	3	14730	21	61	68
B-C	0.0	6.6818	-93.6906	-87.0088	36	3	1	3580	2	14	21
B-D	-89.2013	-160.2231	-307.201	-556.6254	123	19	3	14653	18	61	70
B-F	-227.6567	-364.3356	-820.944	-1412.9363	268	56	21	36093	30	171	181
C-E	-213.4	-360.6819	-867.991	-1442.0729	269	35	21	35860	29	167	181
C-F	-63.9539	-116.378	-310.024	-490.3559	122	15	3	14469	18	60	70
D-E	0.0	4.4836	-93.5777	-89.0941	36	2	1	3457	2	15	21
D-F	0.0	1.4867	-99.4477	-97.961	37	2	1	3634	2	15	21
E-F	0.0	2.2917	-95.5555	-93.2638	37	2	1	3589	2	15	21

Interface residues

• A-B: ALA199B, ALA260A, ARG252A, ARG263A, ARG276A, ASN196B, ASN258A, ASN258B, ASP249A, ASP259A, GLU195B, GLU250B, GLU253A, GLU253B, GLU255A, GLU255B, GLU280A, LEU189B, LEU247B, LEU254A, LEU254B, LEU262A, LYS202B, LYS256A, LYS256B, LYS275A, LYS277A, MET200B, MET204B, MET279A, PHE278A, PRO197B, SER257A, SER257B, TYR198B, VAL201B, VAL261A
• A-C: ALA199A, ALA260C, ARG252C, ARG263C, ARG276C, ASN196A, ASN258A, ASN258C, ASP249C, ASP259C, GLU195A, GLU250A, GLU253A, GLU253C, GLU255A, GLU255C, GLU280C, LEU189A, LEU247A, LEU254A, LEU254C, LEU262C, LYS202A, LYS256A, LYS256C, LYS275C, LYS277C, MET200A, MET204A, MET279C, PHE278C, PRO197A, SER257A, SER257C, TYR198A, VAL201A, VAL261C
• A-D: ALA127A, ALA127D, ALA138A, ALA138D, ALA142A, ALA142D, ALA149A, ALA149D, ALA150A, ALA150D, ALA235A, ALA235D, ALA245A, ALA245D, ALA248A, ALA248D, ALA267A, ALA267D, ALA28A, ALA28D, ALA51A, ALA51D, ALA52A, ALA52D, ALA56A, ALA56D, ALA6A, ALA6D, ARG128A, ARG128D, ARG129A, ARG129D, ARG155A, ARG155D, ARG229A, ARG229D, ARG242A, ARG242D, ARG252A, ARG252D, ARG263A, ARG263D, ARG27A, ARG27D, ARG30A, ARG30D, ARG36A, ARG36D, ASN13A, ASN13D, ASN141A, ASN141D, ASP133A, ASP133D, ASP143A, ASP143D, ASP162A, ASP162D, ASP21A, ASP21D, ASP226A, ASP226D, ASP249A, ASP249D, ASP25A, ASP25D, ASP269A, ASP269D, ASP281A, ASP281D, ASP29A, ASP29D, ASP32A, ASP32D, ASP45A, ASP45D, ASP58A, ASP58D, ASP62A, ASP62D, CYS11D, CYS221A, CYS221D, CYS48A, CYS48D, GLN158A, GLN158D, GLU130A, GLU130D, GLU136A, GLU136D, GLU159A, GLU159D, GLU193A, GLU193D, GLU228A, GLU228D, GLU239A, GLU239D, GLU246A, GLU246D, GLU250A, GLU250D, GLU253A, GLU253D, GLU26A, GLU26D, GLU280A, GLU280D, GLU283A, GLU283D, GLU31A, GLU31D, GLU34A, GLU34D, GLU47A, GLU47D, GLU50A, GLU50D, GLU54A, GLY126A, GLY126D, GLY12A, GLY12D, GLY152A, GLY152D, GLY15A, GLY15D, GLY270A, GLY270D, GLY39A, GLY39D, HIS238A, HIS238D, HIS266A, HIS266D, ILE139A, ILE139D, ILE233A, ILE233D, ILE59A, ILE59D, ILE7A, ILE7D, ILE9A, ILE9D, LEU125A, LEU125D, LEU132A, LEU132D, LEU144A, LEU144D, LEU148A, LEU148D, LEU14A, LEU14D, LEU23A, LEU23D, LEU24A, LEU24D, LEU262A, LEU262D, LEU273A, LEU273D, LYS10A, LYS10D, LYS146A, LYS146D, LYS227A, LYS227D, LYS243A, LYS243D, LYS256A, LYS256D, LYS271A, LYS271D, LYS275A, LYS275D, LYS277A, LYS277D, LYS43A, LYS43D, MET137A, MET137D, MET145A, MET145D, MET18A, MET18D, MET19A, MET19D, MET20A, MET20D, MET22A, MET22D, MET279A, MET279D, MET44A, MET44D, MET55A, MET55D, PHE131A, PHE131D, PHE154A, PHE154D, PHE194A, PHE194D, PHE278A, PHE278D, PHE35A, PHE35D, PHE63A, PHE63D, PHE8A, PHE8D, PRO134A, PRO134D, PRO232A, PRO232D, PRO265A, PRO265D, PRO268A, PRO268D, PRO282A, PRO282D, SER17A, SER17D, SER236A, SER236D, SER274A, SER274D, SER41A, SER41D, THR151A, THR151D, THR264A, THR264D, THR40A, THR40D, TYR140A, TYR140D, TYR230A, TYR230D, VAL135A, VAL135D, VAL147A, VAL147D, VAL153A, VAL153D, VAL156A, VAL156D, VAL231A, VAL231D, VAL234A, VAL234D, VAL261A, VAL261D, VAL272A, VAL272D, VAL33A, VAL33D, VAL37A, VAL37D, VAL38A, VAL38D, VAL3A, VAL3D, VAL42A, VAL42D, VAL49A, VAL49D
• A-E: ALA199A, ALA199E, ALA203A, ALA203E, ALA205A, ALA205E, ALA206A, ALA206E, ALA210A, ALA210E, ALA214E, ALA235A, ALA235E, ALA237A, ALA237E, ALA244A, ALA244E, ALA245A, ALA245E, ALA248A, ALA248E, ALA251E, ARG185A, ARG185E, ARG191A, ARG191E, ARG229A, ARG229E, ARG242A, ARG242E, ASN186A, ASN186E, ASN212A, ASN212E, ASP184A, ASP184E, ASP215A, ASP215E, ASP226A, ASP226E, ASP249A, ASP249E, GLU130A, GLU136A, GLU136E, GLU190A, GLU190E, GLU208A, GLU208E, GLU211A, GLU211E, GLU219A, GLU219E, GLU224A, GLU224E, GLU228A, GLU228E, GLU239A, GLU239E, GLU246A, GLU246E, GLU250A, GLU250E, GLY220A, GLY220E, HIS238A, HIS238E, ILE209A, ILE209E, ILE233A, ILE233E, LEU188A, LEU188E, LEU189A, LEU189E, LEU207A, LEU207E, LEU247A, LEU247E, LEU254A, LEU254E, LYS202A, LYS202E, LYS227A, LYS227E, LYS243A, LYS243E, MET200A, MET200E, MET204A, MET204E, MET240A, MET240E, MET241A, MET241E, PHE131A, PHE131E, PRO197A, PRO197E, PRO232A, PRO232E, SER217A, SER217E, SER236A, SER236E, THR187A, THR187E, TYR198A, TYR198E, TYR230A, TYR230E, VAL201A, VAL201E, VAL213A, VAL213E, VAL216A, VAL216E, VAL231A, VAL231E, VAL234A, VAL234E
• B-C: ALA199C, ALA260B, ARG252B, ARG263B, ARG276B, ASN196C, ASN258B, ASN258C, ASP249B, ASP259B, GLU195C, GLU250C, GLU253B, GLU253C, GLU255B, GLU255C, GLU280B, LEU189C, LEU254B, LEU254C, LEU262B, LYS202C, LYS256B, LYS256C, LYS275B, LYS277B, MET200C, MET204C, MET279B, PHE278B, PRO197C, SER257B, SER257C, TYR198C, VAL201C, VAL261B
• B-D: ALA199B, ALA199D, ALA203B, ALA203D, ALA205B, ALA205D, ALA206B, ALA206D, ALA210B, ALA210D, ALA214D, ALA235B, ALA235D, ALA237B, ALA237D, ALA244B, ALA244D, ALA245B, ALA245D, ALA248B, ALA248D, ALA251D, ARG185B, ARG185D, ARG191B, ARG191D, ARG229B, ARG229D, ARG242B, ARG242D, ASN186B, ASN186D, ASN212B, ASN212D, ASP184B, ASP184D, ASP215B, ASP215D, ASP226B, ASP226D, ASP249B, GLU130B, GLU136B, GLU136D, GLU190B, GLU190D, GLU208B, GLU208D, GLU211B, GLU211D, GLU219B, GLU219D, GLU224B, GLU224D, GLU228B, GLU228D, GLU239B, GLU239D, GLU246B, GLU246D, GLU250B, GLU250D, GLY220B, GLY220D, HIS238B, HIS238D, ILE209B, ILE209D, ILE233B, ILE233D, LEU188B, LEU188D, LEU189B, LEU189D, LEU207B, LEU207D, LEU247B, LEU247D, LEU254B, LEU254D, LYS202B, LYS202D, LYS227B, LYS227D, LYS243B, LYS243D, MET200B, MET200D, MET204B, MET204D, MET240B, MET240D, MET241B, MET241D, PHE131B, PHE131D, PRO197B, PRO197D, PRO232B, PRO232D, SER217B, SER217D, SER236B, SER236D, THR187B, THR187D, TYR198B, TYR198D, TYR230B, TYR230D, VAL201B, VAL201D, VAL213B, VAL213D, VAL216B, VAL216D, VAL218B, VAL218D, VAL223B, VAL231B, VAL231D, VAL234B, VAL234D
• B-F: ALA127B, ALA127F, ALA138B, ALA138F, ALA142B, ALA142F, ALA149B, ALA149F, ALA150B, ALA150F, ALA235B, ALA235F, ALA245B, ALA245F, ALA248B, ALA248F, ALA267B, ALA267F, ALA28B, ALA28F, ALA51B, ALA51F, ALA52B, ALA52F, ALA56B, ALA56F, ALA6B, ALA6F, ARG128B, ARG128F, ARG129B, ARG129F, ARG155B, ARG155F, ARG229B, ARG229F, ARG242B, ARG242F, ARG252B, ARG252F, ARG263B, ARG263F, ARG27B, ARG27F, ARG30B, ARG30F, ARG36B, ARG36F, ASN13B, ASN13F, ASN141B, ASN141F, ASP133B, ASP133F, ASP143B, ASP143F, ASP162B, ASP162F, ASP21B, ASP21F, ASP226F, ASP249B, ASP249F, ASP25B, ASP25F, ASP269B, ASP269F, ASP281B, ASP281F, ASP29B, ASP29F, ASP32B, ASP32F, ASP45B, ASP45F, ASP58B, ASP58F, CYS11B, CYS221B, CYS221F, CYS48B, CYS48F, GLN158B, GLN158F, GLU130B, GLU130F, GLU136B, GLU136F, GLU159B, GLU159F, GLU193B, GLU193F, GLU228B, GLU228F, GLU239B, GLU239F, GLU246B, GLU246F, GLU250B, GLU250F, GLU253B, GLU253F, GLU26B, GLU26F, GLU280B, GLU280F, GLU283F, GLU31B, GLU31F, GLU34B, GLU34F, GLU47B, GLU47F, GLU50B, GLU50F, GLU54B, GLU54F, GLY126B, GLY126F, GLY12B, GLY12F, GLY152B, GLY152F, GLY15B, GLY15F, GLY270B, GLY270F, GLY39B, GLY39F, HIS238B, HIS238F, HIS266B, HIS266F, ILE139B, ILE139F, ILE233B, ILE233F, ILE59B, ILE59F, ILE7B, ILE7F, ILE9B, ILE9F, LEU125B, LEU125F, LEU132B, LEU132F, LEU144B, LEU144F, LEU148B, LEU148F, LEU14B, LEU14F, LEU23B, LEU23F, LEU24B, LEU24F, LEU262B, LEU262F, LEU273B, LEU273F, LYS10B, LYS10F, LYS146B, LYS146F, LYS227B, LYS227F, LYS243B, LYS243F, LYS256B, LYS256F, LYS271B, LYS271F, LYS275B, LYS275F, LYS277B, LYS277F, LYS43B, LYS43F, MET137B, MET137F, MET145B, MET145F, MET18B, MET18F, MET19B, MET19F, MET20B, MET20F, MET22B, MET22F, MET279B, MET279F, MET44B, MET44F, MET55B, MET55F, PHE131B, PHE131F, PHE154B, PHE154F, PHE194B, PHE194F, PHE278B, PHE278F, PHE35B, PHE35F, PHE63B, PHE63F, PHE8B, PHE8F, PRO134B, PRO134F, PRO232B, PRO232F, PRO265B, PRO265F, PRO268B, PRO268F, PRO282B, PRO282F, PRO73F, SER17B, SER17F, SER236B, SER236F, SER274B, SER274F, SER41B, SER41F, THR151B, THR151F, THR264B, THR264F, THR40B, THR40F, TYR140B, TYR140F, TYR230B, TYR230F, VAL135B, VAL135F, VAL147B, VAL147F, VAL153B, VAL153F, VAL156B, VAL156F, VAL231B, VAL231F, VAL234B, VAL234F, VAL261B, VAL261F, VAL272B, VAL272F, VAL33B, VAL33F, VAL37B, VAL37F, VAL38B, VAL38F, VAL3B, VAL3F, VAL42B, VAL42F, VAL49B, VAL49F
• C-E: ALA127C, ALA127E, ALA138C, ALA138E, ALA142C, ALA142E, ALA149C, ALA149E, ALA150C, ALA150E, ALA235C, ALA235E, ALA245C, ALA245E, ALA248C, ALA248E, ALA267C, ALA267E, ALA28C, ALA28E, ALA51C, ALA51E, ALA52C, ALA52E, ALA56C, ALA56E, ALA6C, ALA6E, ARG128C, ARG128E, ARG129C, ARG129E, ARG155C, ARG155E, ARG191E, ARG229C, ARG229E, ARG242C, ARG242E, ARG252C, ARG252E, ARG263C, ARG263E, ARG27C, ARG27E, ARG30C, ARG30E, ARG36C, ARG36E, ASN13C, ASN13E, ASN141C, ASN141E, ASP133C, ASP133E, ASP143C, ASP143E, ASP162C, ASP162E, ASP21C, ASP21E, ASP226E, ASP249C, ASP249E, ASP25C, ASP25E, ASP269C, ASP269E, ASP281C, ASP281E, ASP29C, ASP29E, ASP32C, ASP32E, ASP45C, ASP45E, ASP58C, ASP58E, ASP62C, CYS11C, CYS11E, CYS221C, CYS221E, CYS48C, CYS48E, GLN158C, GLN158E, GLU130C, GLU130E, GLU136C, GLU136E, GLU159C, GLU159E, GLU193C, GLU193E, GLU228C, GLU228E, GLU239C, GLU239E, GLU246C, GLU246E, GLU250C, GLU250E, GLU253C, GLU253E, GLU26C, GLU26E, GLU280C, GLU280E, GLU283C, GLU31C, GLU31E, GLU34C, GLU34E, GLU47C, GLU47E, GLU50C, GLU50E, GLU54C, GLU54E, GLY126C, GLY126E, GLY12C, GLY12E, GLY152C, GLY152E, GLY15C, GLY15E, GLY270C, GLY39C, GLY39E, HIS238C, HIS238E, HIS266C, HIS266E, ILE139C, ILE139E, ILE233C, ILE233E, ILE59C, ILE59E, ILE7C, ILE7E, ILE9C, ILE9E, LEU125C, LEU125E, LEU132C, LEU132E, LEU144C, LEU144E, LEU148C, LEU148E, LEU14C, LEU14E, LEU23C, LEU23E, LEU24C, LEU24E, LEU262C, LEU262E, LEU273C, LEU273E, LYS10C, LYS10E, LYS146C, LYS146E, LYS227C, LYS227E, LYS243C, LYS243E, LYS256C, LYS256E, LYS271C, LYS271E, LYS275C, LYS275E, LYS277C, LYS277E, LYS43C, LYS43E, MET137C, MET137E, MET145C, MET145E, MET18C, MET18E, MET19C, MET19E, MET20C, MET20E, MET22C, MET22E, MET279C, MET279E, MET44C, MET44E, MET55C, MET55E, PHE131C, PHE131E, PHE154C, PHE154E, PHE194C, PHE194E, PHE278C, PHE278E, PHE35C, PHE35E, PHE63C, PHE63E, PHE8C, PHE8E, PRO134C, PRO134E, PRO232C, PRO232E, PRO265C, PRO265E, PRO268C, PRO268E, PRO282C, PRO282E, SER17C, SER17E, SER236C, SER236E, SER274C, SER274E, SER41C, SER41E, THR151C, THR151E, THR264C, THR264E, THR40C, THR40E, TYR140C, TYR140E, TYR230C, TYR230E, VAL135C, VAL135E, VAL147C, VAL147E, VAL153C, VAL153E, VAL156C, VAL156E, VAL231C, VAL231E, VAL234C, VAL234E, VAL261C, VAL261E, VAL272C, VAL272E, VAL33C, VAL33E, VAL37C, VAL37E, VAL38C, VAL38E, VAL3C, VAL3E, VAL42C, VAL42E, VAL49C, VAL49E
• C-F: ALA199C, ALA199F, ALA203C, ALA203F, ALA205C, ALA205F, ALA206C, ALA206F, ALA210C, ALA210F, ALA214F, ALA235C, ALA235F, ALA237C, ALA237F, ALA244C, ALA244F, ALA245C, ALA245F, ALA248C, ALA248F, ALA251C, ALA251F, ARG185C, ARG185F, ARG191C, ARG191F, ARG229C, ARG229F, ARG242C, ARG242F, ASN186C, ASN186F, ASN212C, ASN212F, ASP184C, ASP184F, ASP215C, ASP215F, ASP226C, ASP226F, ASP249C, ASP249F, GLU136C, GLU136F, GLU190C, GLU190F, GLU208C, GLU208F, GLU211C, GLU211F, GLU219C, GLU219F, GLU224C, GLU224F, GLU228C, GLU228F, GLU239C, GLU239F, GLU246C, GLU246F, GLU250C, GLU250F, GLY220C, GLY220F, HIS238C, HIS238F, ILE209C, ILE209F, ILE233C, ILE233F, LEU188C, LEU188F, LEU189C, LEU189F, LEU207C, LEU207F, LEU247C, LEU247F, LEU254C, LEU254F, LYS202C, LYS202F, LYS227C, LYS227F, LYS243C, LYS243F, MET200C, MET200F, MET204C, MET204F, MET240C, MET240F, MET241C, MET241F, PHE131C, PHE131F, PRO197C, PRO197F, PRO232C, PRO232F, SER217C, SER217F, SER236C, SER236F, THR187C, THR187F, TYR198C, TYR198F, TYR230C, TYR230F, VAL201C, VAL201F, VAL213C, VAL213F, VAL216C, VAL216F, VAL223C, VAL231C, VAL231F, VAL234C, VAL234F
• D-E: ALA199E, ALA260D, ARG252D, ARG263D, ARG276D, ASN196E, ASN258D, ASN258E, ASP249D, ASP259D, GLU195E, GLU250E, GLU253D, GLU253E, GLU255D, GLU255E, GLU280D, LEU189E, LEU247E, LEU254D, LEU254E, LEU262D, LYS202E, LYS256D, LYS275D, LYS277D, MET200E, MET204E, MET279D, PHE278D, PRO197E, SER257D, SER257E, TYR198E, VAL201E, VAL261D
• D-F: ALA199D, ALA260F, ARG252F, ARG263F, ARG276F, ASN196D, ASN258D, ASN258F, ASP249F, ASP259F, GLU195D, GLU250D, GLU253D, GLU253F, GLU255D, GLU255F, GLU280F, LEU189D, LEU247D, LEU254D, LEU254F, LEU262F, LYS202D, LYS256D, LYS256F, LYS275F, LYS277F, MET200D, MET204D, MET279F, PHE278F, PRO197D, SER257D, SER257F, TYR198D, VAL201D, VAL261F
• E-F: ALA199F, ALA260E, ARG252E, ARG263E, ARG276E, ASN196F, ASN258E, ASN258F, ASP249E, ASP259E, GLU195F, GLU250F, GLU253E, GLU253F, GLU255E, GLU255F, GLU280E, LEU189F, LEU247F, LEU254E, LEU254F, LEU262E, LYS202F, LYS256E, LYS256F, LYS275E, LYS277E, MET200F, MET204F, MET279E, PHE278E, PRO197F, SER257E, SER257F, TYR198F, VAL201F, VAL261E