2D0V

crystal structure of methanol dehydrogenase from hyphomicrobium denitrificans

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-I
  • Int. Res.: 219
  • Norm. En. per Res.: -4.0232
• Hub Node: A(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	-128.8204	-61.5448	-544.847	-735.2122	183	29	1	21071	7	84	99
A-D	-6.368	-17.2214	-54.4913	-78.0807	72	0	0	3006	3	43	48
A-E	0.0	0.0	-0.0868	-0.0868	3	0	0	27	0	0	0
B-D	0.0	0.0	-0.4017	-0.4017	12	0	0	104	0	14	9
D-E	-137.5425	-35.7783	-520.246	-693.5668	183	25	2	20575	8	87	94
D-I	-187.5597	-58.21	-635.317	-881.0867	219	35	8	24481	11	96	75
I-J	-129.2216	-56.6374	-536.549	-722.4081	184	29	1	20944	6	85	97

Interface residues

• A-B: ALA135A, ALA186A, ALA228A, ALA234A, ALA24B, ALA263A, ALA427A, ALA52B, ALA55B, ALA8B, ARG181A, ARG190A, ARG197A, ARG270A, ARG370A, ARG377A, ARG426A, ARG44B, ARG50B, ARG54B, ASN11B, ASN149A, ASN188A, ASN214A, ASN217A, ASN266A, ASN274A, ASN38B, ASN51B, ASP130A, ASP151A, ASP233A, ASP273A, ASP29B, ASP2B, ASP300A, ASP33B, ASP362A, ASP371A, ASP379A, ASP67B, CYS12B, CYS6B, GLN128A, GLN156A, GLN194A, GLN222A, GLN295A, GLN40B, GLN429A, GLU143A, GLU148A, GLU14B, GLU193A, GLU206A, GLU21B, GLU231A, GLU267A, GLU301A, GLU36B, GLU42B, GLU47B, GLU48B, GLU49B, GLU56B, GLY10B, GLY131A, GLY150A, GLY155A, GLY175A, GLY179A, GLY182A, GLY18B, GLY192A, GLY221A, GLY232A, GLY238A, GLY239A, GLY25B, GLY272A, GLY375A, GLY3B, GLY428A, GLY46B, GLY62B, HIS132A, HIS183A, HIS219A, HIS299A, HIS32B, HIS380A, HIS5B, ILE152A, ILE237A, ILE23B, LEU123A, LEU133A, LEU158A, LEU178A, LEU225A, LEU367A, LEU37B, LEU423A, LYS146A, LYS153A, LYS16B, LYS223A, LYS22B, LYS236A, LYS275A, LYS27B, LYS31B, LYS359A, LYS35B, LYS39B, LYS45B, LYS59B, LYS63B, LYS7B, MET269A, MET378A, MET422A, PHE144A, PHE19B, PHE358A, PHE421A, PHE431A, PHE58B, PRO121A, PRO15B, PRO17B, PRO20B, PRO218A, PRO264A, PRO271A, PRO298A, PRO30B, PRO34B, PRO368A, PRO372A, PRO420A, PRO424A, PRO9B, SER26B, SER43B, THR120A, THR185A, THR191A, THR201A, THR229A, THR241A, THR268A, THR360A, THR365A, THR376A, THR4B, TRP13B, TRP145A, TRP196A, TRP230A, TRP235A, TRP276A, TRP302A, TRP64B, TYR187A, TYR199A, TYR1B, TYR220A, TYR28B, TYR374A, TYR425A, TYR66B, VAL134A, VAL147A, VAL154A, VAL171A, VAL180A, VAL184A, VAL189A, VAL369A, VAL41B, VAL65B, VAL68B
• A-D: ALA216D, ALA251D, ALA252D, ARG323D, ARG340D, ASN137A, ASN1D, ASN214D, ASN217D, ASN253D, ASN342D, ASN81A, ASN9D, ASP117A, ASP118A, ASP212D, ASP22D, ASP249D, ASP284D, ASP2D, ASP339D, ASP344D, ASP63A, ASP79A, GLN222D, GLU12A, GLU142A, GLU314D, GLU341D, GLU6A, GLU6D, GLY116A, GLY141A, GLY320D, GLY62A, HIS166D, HIS219D, HIS525A, HIS85A, ILE5D, ILE61A, ILE86A, LEU254D, LEU7A, LEU87A, LYS119A, LYS139A, LYS291D, LYS321D, LYS322D, LYS324D, LYS364D, LYS3A, LYS526A, LYS596A, PHE144A, PRO121A, PRO218D, PRO250D, SER122A, SER215D, SER8D, THR120A, THR140A, THR287D, THR319D, THR365D, TRP114A, TRP88A, TYR21D, TYR248D, VAL64A
• A-E: LYS596A, PRO9E, TYR594A
• B-D: ARG190D, ASP117D, ASP167D, ASP286D, ASP2D, GLY62B, HIS166D, LYS119D, LYS59B, LYS60B, LYS63B, THR61B
• D-E: ALA176D, ALA186D, ALA228D, ALA234D, ALA24E, ALA263D, ALA427D, ALA52E, ALA55E, ALA8E, ARG181D, ARG190D, ARG197D, ARG270D, ARG370D, ARG377D, ARG426D, ARG44E, ARG50E, ARG54E, ASN11E, ASN149D, ASN188D, ASN217D, ASN266D, ASN274D, ASN38E, ASN51E, ASP130D, ASP151D, ASP233D, ASP273D, ASP29E, ASP2E, ASP300D, ASP33E, ASP362D, ASP371D, ASP379D, CYS12E, CYS6E, GLN156D, GLN194D, GLN222D, GLN295D, GLN40E, GLN429D, GLU142D, GLU143D, GLU148D, GLU14E, GLU193D, GLU206D, GLU21E, GLU231D, GLU267D, GLU301D, GLU36E, GLU42E, GLU47E, GLU48E, GLU49E, GLU56E, GLY10E, GLY131D, GLY150D, GLY155D, GLY175D, GLY179D, GLY182D, GLY18E, GLY192D, GLY221D, GLY232D, GLY238D, GLY239D, GLY25E, GLY272D, GLY366D, GLY375D, GLY3E, GLY428D, GLY46E, GLY62E, HIS132D, HIS183D, HIS219D, HIS299D, HIS32E, HIS380D, HIS5E, ILE152D, ILE237D, ILE23E, LEU123D, LEU133D, LEU158D, LEU178D, LEU225D, LEU367D, LEU37E, LEU423D, LYS146D, LYS153D, LYS16E, LYS223D, LYS22E, LYS236D, LYS275D, LYS27E, LYS31E, LYS359D, LYS35E, LYS39E, LYS59E, LYS63E, LYS7E, MET269D, MET378D, MET422D, PHE144D, PHE19E, PHE213D, PHE358D, PHE421D, PHE431D, PHE58E, PRO121D, PRO15E, PRO17E, PRO20E, PRO218D, PRO264D, PRO271D, PRO298D, PRO30E, PRO34E, PRO368D, PRO372D, PRO420D, PRO424D, PRO9E, SER173D, SER26E, SER43E, THR120D, THR185D, THR191D, THR229D, THR241D, THR268D, THR360D, THR365D, THR376D, THR4E, TRP13E, TRP145D, TRP196D, TRP230D, TRP235D, TRP276D, TRP302D, TRP64E, TYR187D, TYR199D, TYR1E, TYR220D, TYR28E, TYR374D, TYR425D, TYR66E, VAL134D, VAL147D, VAL154D, VAL171D, VAL180D, VAL184D, VAL189D, VAL361D, VAL369D, VAL41E, VAL65E, VAL68E
• D-I: ALA43D, ALA43I, ALA498D, ALA498I, ARG446D, ARG446I, ARG472D, ARG472I, ARG499D, ARG499I, ASN448D, ASN448I, ASN564D, ASN564I, ASN567D, ASN567I, ASN584D, ASN584I, ASN590D, ASN590I, ASP445D, ASP445I, ASP493D, ASP493I, ASP548D, ASP548I, ASP581D, ASP581I, ASP587D, ASP587I, ASP588D, ASP588I, ASP82D, ASP82I, GLN39D, GLN39I, GLN454D, GLN454I, GLN468D, GLN468I, GLN550D, GLN550I, GLN566D, GLN566I, GLN570D, GLN570I, GLN89D, GLN89I, GLU471D, GLU471I, GLU505D, GLU505I, GLU50D, GLU50I, GLU576D, GLU576I, GLU593D, GLU593I, GLU595D, GLU595I, GLY444D, GLY444I, GLY451D, GLY451I, GLY453D, GLY453I, GLY494D, GLY494I, GLY49D, GLY49I, GLY504I, GLY515D, GLY515I, GLY536D, GLY536I, GLY572D, GLY572I, GLY573D, GLY573I, GLY582D, GLY582I, GLY592D, GLY592I, GLY597D, GLY84D, GLY84I, HIS42D, HIS42I, HIS469D, HIS469I, HIS510D, HIS510I, HIS52D, HIS52I, HIS54D, HIS54I, HIS85D, HIS85I, ILE455D, ILE455I, ILE86D, ILE86I, LEU40D, LEU40I, LEU450D, LEU450I, LEU452D, LEU452I, LEU506D, LEU506I, LEU512D, LEU512I, LEU51D, LEU51I, LEU545D, LEU545I, LEU565D, LEU565I, LEU575D, LEU575I, LEU580D, LEU580I, LEU78D, LEU78I, LEU87D, LEU87I, LYS38D, LYS38I, LYS41D, LYS41I, LYS443D, LYS443I, LYS497D, LYS497I, LYS509D, LYS509I, LYS511D, LYS511I, LYS583D, LYS583I, LYS596D, LYS74D, LYS74I, LYS93D, LYS93I, MET470D, MET470I, MET571D, MET571I, PHE46D, PHE46I, PHE473D, PHE473I, PHE495D, PHE495I, PHE578D, PHE578I, PHE76D, PHE76I, PRO440D, PRO440I, PRO513D, PRO513I, PRO585D, PRO585I, PRO83D, PRO83I, SER45D, SER45I, SER47D, SER47I, SER514D, SER514I, SER535D, SER535I, SER574D, SER574I, SER579D, SER579I, SER69D, SER69I, SER91D, SER91I, THR48D, THR48I, THR491D, THR491I, THR569D, THR569I, TRP44D, TRP44I, TRP508D, TRP508I, TRP88D, TRP88I, TYR449D, TYR449I, TYR489D, TYR489I, TYR568D, TYR568I, TYR586D, TYR586I, TYR594D, TYR594I, VAL37D, VAL37I, VAL507D, VAL507I, VAL537D, VAL537I, VAL546D, VAL577D, VAL577I, VAL589D, VAL589I, VAL591D, VAL591I, VAL67I
• I-J: ALA176I, ALA186I, ALA228I, ALA234I, ALA24J, ALA263I, ALA427I, ALA52J, ALA55J, ALA8J, ARG181I, ARG190I, ARG197I, ARG270I, ARG370I, ARG377I, ARG426I, ARG44J, ARG50J, ARG54J, ASN11J, ASN149I, ASN188I, ASN217I, ASN266I, ASN274I, ASN38J, ASN51J, ASN53J, ASP130I, ASP151I, ASP233I, ASP273I, ASP29J, ASP2J, ASP300I, ASP33J, ASP362I, ASP371I, ASP379I, ASP67J, CYS12J, CYS6J, GLN156I, GLN194I, GLN222I, GLN295I, GLN40J, GLN429I, GLU142I, GLU143I, GLU148I, GLU14J, GLU193I, GLU206I, GLU21J, GLU231I, GLU267I, GLU301I, GLU36J, GLU42J, GLU47J, GLU48J, GLU49J, GLU56J, GLY10J, GLY131I, GLY150I, GLY155I, GLY175I, GLY179I, GLY182I, GLY18J, GLY192I, GLY221I, GLY232I, GLY238I, GLY239I, GLY25J, GLY272I, GLY366I, GLY375I, GLY3J, GLY428I, GLY46J, GLY62J, HIS132I, HIS183I, HIS219I, HIS299I, HIS32J, HIS380I, HIS5J, ILE152I, ILE237I, ILE23J, LEU123I, LEU133I, LEU158I, LEU178I, LEU225I, LEU367I, LEU37J, LEU423I, LYS146I, LYS153I, LYS16J, LYS223I, LYS22J, LYS236I, LYS275I, LYS27J, LYS31J, LYS359I, LYS35J, LYS39J, LYS45J, LYS59J, LYS63J, LYS7J, MET269I, MET378I, MET422I, PHE144I, PHE19J, PHE358I, PHE421I, PHE431I, PHE58J, PRO121I, PRO15J, PRO17J, PRO20J, PRO218I, PRO264I, PRO271I, PRO298I, PRO30J, PRO34J, PRO368I, PRO372I, PRO420I, PRO424I, PRO9J, SER26J, SER43J, THR120I, THR185I, THR191I, THR229I, THR241I, THR268I, THR360I, THR365I, THR376I, THR4J, TRP13J, TRP145I, TRP196I, TRP230I, TRP235I, TRP276I, TRP302I, TRP64J, TYR187I, TYR199I, TYR1J, TYR220I, TYR28J, TYR374I, TYR425I, TYR66J, VAL134I, VAL147I, VAL154I, VAL171I, VAL180I, VAL184I, VAL189I, VAL361I, VAL369I, VAL41J, VAL65J, VAL68J