3GXO

structure of the mitomycin 7-o-methyltransferase mmcr with bound mitomycin a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 246
  • Norm. En. per Res.: -4.8345
• Hub Node: A(2)

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-D	-9.9833	44.3275	-84.9661	-50.6219	60	3	0	3688	3	30	33
A-B	-95.898	-163.7145	-929.672	-1189.2845	246	39	44	37877	9	70	71
D-C	-92.2271	-165.0335	-934.258	-1191.5186	250	50	49	38189	9	71	71

Interface residues

• A-D: ALA104A, ALA198A, ALA231A, ALA231D, ALA54D, ALA56D, ALA60D, ALA91A, ARG161D, ARG193D, ARG228A, ARG228D, ARG233A, ARG52A, ARG52D, ASP102A, ASP202A, ASP232A, ASP232D, ASP87A, ASP87D, ASP88A, ASP88D, GLN48A, GLU157D, GLU223A, GLU223D, GLU49A, GLU49D, GLU59D, GLY227A, GLY227D, GLY229A, GLY229D, GLY50A, GLY50D, HIS86A, HIS86D, LEU168A, LEU224A, LEU224D, LEU225A, LEU225D, LEU230A, LEU230D, LEU57D, LEU84A, LEU84D, LEU89A, LEU89D, PHE90D, PRO103A, PRO103D, PRO51A, PRO51D, THR226A, THR226D, THR53A, THR53D, THR55D
• A-B: ALA104A, ALA104B, ALA108A, ALA108B, ALA111A, ALA111B, ALA115A, ALA115B, ALA116A, ALA116B, ALA122A, ALA122B, ALA140A, ALA140B, ALA14A, ALA14B, ALA16A, ALA16B, ALA17A, ALA17B, ALA18A, ALA18B, ALA295A, ALA295B, ALA296A, ALA296B, ALA29A, ALA29B, ALA312A, ALA312B, ALA32A, ALA32B, ALA34A, ALA34B, ALA38A, ALA38B, ALA58A, ALA58B, ALA60B, ALA63A, ALA63B, ALA76A, ALA76B, ALA94A, ALA94B, ALA97A, ALA97B, ARG112A, ARG112B, ARG121A, ARG121B, ARG131A, ARG131B, ARG15A, ARG15B, ARG293A, ARG293B, ARG314A, ARG314B, ARG33A, ARG33B, ARG69A, ARG69B, ARG70A, ARG70B, ARG73A, ARG73B, ASN141A, ASN141B, ASN23A, ASN23B, ASN93A, ASN93B, ASP102A, ASP110A, ASP110B, ASP24A, ASP24B, ASP262A, ASP262B, ASP263B, ASP291A, ASP291B, ASP302A, ASP302B, ASP83B, GLN114A, GLN114B, GLN125A, GLN125B, GLN27A, GLN27B, GLN66A, GLN66B, GLU124A, GLU124B, GLU134A, GLU134B, GLU19A, GLU19B, GLU20A, GLU20B, GLU292A, GLU292B, GLU313A, GLU313B, GLU318A, GLU318B, GLU40A, GLU40B, GLU65A, GLU65B, GLY133A, GLY133B, GLY28A, GLY28B, GLY310A, GLY310B, GLY311A, GLY311B, GLY42A, GLY42B, GLY62A, GLY62B, GLY79A, GLY79B, GLY85A, GLY85B, HIS119A, HIS119B, HIS128A, HIS128B, HIS259A, HIS259B, HIS36A, HIS36B, HIS64A, HIS64B, ILE25A, ILE25B, ILE290A, ILE290B, ILE35A, ILE35B, LEU126A, LEU126B, LEU26A, LEU26B, LEU299A, LEU299B, LEU303A, LEU303B, LEU304A, LEU304B, LEU305A, LEU305B, LEU306A, LEU306B, LEU308A, LEU308B, LEU41A, LEU41B, LEU68A, LEU68B, LEU71A, LEU71B, LEU72A, LEU72B, LEU74A, LEU74B, LEU75A, LEU75B, LEU95A, LEU95B, LEU99A, LEU99B, LYS31A, LYS31B, PHE113A, PHE113B, PHE300A, PHE300B, PRO106A, PRO106B, PRO117A, PRO117B, PRO294A, PRO294B, SER105A, SER105B, SER129A, SER129B, SER136A, SER297A, SER297B, SER315A, SER315B, SER96A, SER96B, THR109A, THR109B, THR127A, THR127B, THR132A, THR132B, THR21A, THR21B, THR298A, THR298B, THR61A, THR61B, THR67A, THR67B, THR77A, THR77B, TRP118A, TRP118B, TRP120A, TRP120B, TRP123A, TRP123B, TRP30A, TRP30B, VAL107A, VAL107B, VAL130A, VAL130B, VAL139B, VAL22A, VAL22B, VAL301A, VAL301B, VAL307A, VAL307B, VAL37A, VAL37B, VAL39A, VAL39B, VAL43A, VAL43B, VAL78A, VAL78B, VAL80A, VAL80B, VAL98A, VAL98B
• D-C: ALA104C, ALA108C, ALA108D, ALA111C, ALA111D, ALA115C, ALA115D, ALA116C, ALA116D, ALA122C, ALA122D, ALA140C, ALA140D, ALA14C, ALA14D, ALA16C, ALA16D, ALA17C, ALA17D, ALA18C, ALA18D, ALA295C, ALA295D, ALA296C, ALA296D, ALA29C, ALA29D, ALA312C, ALA312D, ALA32C, ALA32D, ALA34C, ALA34D, ALA38C, ALA38D, ALA58C, ALA58D, ALA63C, ALA63D, ALA76C, ALA76D, ALA94C, ALA94D, ALA97C, ALA97D, ARG112C, ARG112D, ARG121C, ARG121D, ARG131C, ARG131D, ARG15C, ARG15D, ARG293C, ARG293D, ARG314C, ARG314D, ARG33C, ARG33D, ARG69C, ARG69D, ARG70C, ARG70D, ARG73C, ARG73D, ASN141C, ASN141D, ASN23C, ASN23D, ASN93C, ASN93D, ASP102C, ASP102D, ASP110C, ASP110D, ASP24C, ASP24D, ASP262C, ASP262D, ASP263C, ASP263D, ASP291C, ASP291D, ASP302C, ASP302D, ASP83C, GLN114C, GLN114D, GLN125C, GLN125D, GLN27C, GLN27D, GLN66C, GLN66D, GLU124C, GLU124D, GLU134C, GLU134D, GLU19C, GLU19D, GLU20C, GLU20D, GLU292C, GLU292D, GLU313C, GLU313D, GLU318C, GLU318D, GLU40C, GLU40D, GLU65C, GLU65D, GLY133C, GLY133D, GLY28C, GLY28D, GLY310C, GLY310D, GLY311C, GLY311D, GLY42C, GLY42D, GLY62C, GLY62D, GLY79C, GLY79D, HIS119C, HIS119D, HIS128C, HIS128D, HIS259C, HIS259D, HIS36C, HIS36D, HIS64C, HIS64D, ILE25C, ILE25D, ILE290C, ILE290D, ILE35C, ILE35D, LEU100C, LEU100D, LEU126C, LEU126D, LEU26C, LEU26D, LEU299C, LEU299D, LEU303C, LEU303D, LEU304C, LEU304D, LEU305C, LEU305D, LEU306C, LEU306D, LEU308C, LEU308D, LEU41C, LEU41D, LEU68C, LEU68D, LEU71C, LEU71D, LEU72C, LEU72D, LEU74C, LEU74D, LEU75C, LEU75D, LEU95C, LEU95D, LEU99C, LEU99D, LYS154C, LYS31C, LYS31D, PHE113C, PHE113D, PHE300C, PHE300D, PHE81C, PHE81D, PRO106C, PRO106D, PRO117C, PRO117D, PRO294C, PRO294D, SER105C, SER105D, SER129C, SER129D, SER136C, SER297C, SER297D, SER315C, SER96C, SER96D, THR109C, THR109D, THR127C, THR127D, THR132C, THR132D, THR169C, THR21C, THR21D, THR298C, THR298D, THR61C, THR61D, THR67C, THR67D, THR77C, THR77D, TRP118C, TRP118D, TRP120C, TRP120D, TRP123C, TRP123D, TRP30C, TRP30D, VAL107C, VAL107D, VAL130C, VAL130D, VAL139C, VAL139D, VAL22C, VAL22D, VAL301C, VAL301D, VAL307C, VAL307D, VAL37C, VAL37D, VAL39C, VAL39D, VAL43C, VAL43D, VAL78C, VAL78D, VAL80C, VAL80D, VAL98C, VAL98D