3GDJ

crystal structure determination of camel(camelus dromedarius)hemoglobin at 2 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -2.7528
• 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	-14.0202	12.3939	-257.139	-258.7653	94	7	11	10294	0	20	26
A-C	0.0	-1.0893	-87.4614	-88.5507	54	1	0	3529	0	12	19
A-D	-4.2864	27.0003	-139.471	-116.7572	55	0	0	5218	0	17	18
B-C	-11.3794	9.9193	-149.222	-150.6821	55	1	0	5322	0	18	19
B-D	-11.0754	3.8677	-68.7712	-75.9789	50	5	2	2659	0	14	29
C-D	-16.0169	16.2239	-240.28	-240.0729	93	12	12	10378	0	20	25

Interface residues

• A-B: ALA110A, ALA111A, ALA115B, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA26A, ALA27B, ALA28A, ALA51B, ARG104B, ARG116B, ARG30B, ARG31A, ARG39B, ASN108B, ASP116A, ASP125B, ASP126A, ASP52B, CYS104A, GLN127B, GLN131B, GLU101B, GLU121B, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY115A, GLY119B, GLY29B, GLY35A, HIS103A, HIS112A, HIS113A, HIS117B, HIS122A, HIS50A, LEU100A, LEU101A, LEU105A, LEU105B, LEU106A, LEU110B, LEU114B, LEU125A, LEU126B, LEU29A, LEU31B, LEU32B, LEU34A, LYS120B, LYS127A, LYS132B, LYS5A, LYS99A, MET32A, MET55B, PHE117A, PHE118B, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, SER102A, SER120A, SER124A, THR108A, THR118A, THR123B, THR50B, TRP37B, TYR130B, TYR35B, VAL107A, VAL109A, VAL109B, VAL111B, VAL112B, VAL113B, VAL121A, VAL134B, VAL33B, VAL34B, VAL54B, VAL96A
• A-C: ALA123A, ALA123C, ALA130A, ALA130C, ARG141A, ARG141C, ASN131A, ASN131C, ASP126A, ASP126C, ASP6A, ASP6C, HIS89A, HIS89C, LEU129A, LEU129C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, PRO77A, PRO77C, PRO95A, PRO95C, SER124A, SER124C, SER133A, SER133C, SER138A, SER138C, SER3A, SER3C, SER81C, SER84C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL132A, VAL132C, VAL135A, VAL135C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA88A, ARG141A, ARG39D, ARG40D, ARG92A, ASN102D, ASN97A, ASP47D, ASP94A, ASP94D, ASP99D, CYS93D, GLU101D, GLU43D, GLY46D, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE36A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA88C, ARG104B, ARG141C, ARG39B, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLU101B, GLU43B, GLY46B, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER49B, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA135B, ALA135D, ALA138B, ALA138D, ALA140B, ALA140D, ALA142B, ALA142D, ARG104B, ARG104D, ARG144B, ARG144D, ASN139B, ASN139D, ASN80B, ASP79B, ASP99B, GLN131B, GLU101B, GLU101D, GLY136B, GLY136D, HIS143B, HIS143D, HIS146B, HIS146D, HIS2B, HIS2D, LEU141B, LEU3D, LEU78B, LEU78D, LEU81B, LEU81D, LYS132B, LYS132D, LYS82B, LYS82D, PRO100B, PRO100D, TYR145B, TYR145D, TYR85B, VAL133B, VAL133D, VAL134B, VAL137B, VAL137D, VAL1B, VAL1D
• C-D: ALA110C, ALA111C, ALA115D, ALA123C, ALA128D, ALA129D, ALA130C, ALA135D, ALA26C, ALA27D, ALA28C, ALA51D, ARG104D, ARG116D, ARG30D, ARG31C, ARG39D, ASN108D, ASN56D, ASP116C, ASP125D, ASP126C, ASP52D, CYS104C, GLN127D, GLN131D, GLU101D, GLU121D, GLU26D, GLU27C, GLU30C, GLU7D, GLY107D, GLY115C, GLY119D, GLY29D, GLY35C, HIS103C, HIS112C, HIS113C, HIS117D, HIS122C, HIS50C, LEU100C, LEU105C, LEU105D, LEU106C, LEU110D, LEU114D, LEU125C, LEU126D, LEU29C, LEU31D, LEU32D, LEU34C, LYS120D, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE118D, PHE122D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER102C, SER120C, SER124C, THR108C, THR118C, THR123D, THR50D, TRP37D, TYR130D, TYR35D, VAL107C, VAL109C, VAL109D, VAL111D, VAL112D, VAL113D, VAL121C, VAL134D, VAL33D, VAL34D, VAL54D, VAL96C